PubChemLite - 7',8',11',12'-tetrahydro-gamma-carotene (C40H60)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C

InChI

InChI=1S/C40H60/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,16,18-20,23-25,27,29-30H,13-15,17,21-22,26,28,31H2,1-10H3/b12-11+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+

InChIKey

CJPVGWWWFOEZJV-FOBJUVIXSA-N

Compound name

2-[(1E,3E,5E,7E,9E,11E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,15,19,23-nonaenyl]-1,3,3-trimethylcyclohexene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	541.47678	243.4
[M+Na]+	563.45872	240.7
[M-H]-	539.46222	242.2
[M+NH4]+	558.50332	243.5
[M+K]+	579.43266	229.8
[M+H-H2O]+	523.46676	236.6
[M+HCOO]-	585.46770	241.2
[M+CH3COO]-	599.48335	257.5
[M+Na-2H]-	561.44417	227.3
[M]+	540.46895	242.2
[M]-	540.47005	242.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.47678

243.4

[M+Na]+

563.45872

240.7

[M-H]-

539.46222

242.2

[M+NH4]+

558.50332

243.5

[M+K]+

579.43266

229.8

[M+H-H2O]+

523.46676

236.6

[M+HCOO]-

585.46770

241.2

[M+CH3COO]-

599.48335

257.5

[M+Na-2H]-

561.44417

227.3

[M]+

540.46895

242.2

[M]-

540.47005

242.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

7',8',11',12'-tetrahydro-gamma-carotene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe