PubChemLite - Mhph (C38H58O2)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)OC)OC)/C)/C)/C)/C)/C)C

InChI

InChI=1S/C38H58O2/c1-30(2)15-10-16-31(3)17-11-18-32(4)19-12-20-33(5)21-13-22-34(6)23-14-24-35(7)25-26-36-29-37(39-8)27-28-38(36)40-9/h15,17,19,21,23,25,27-29H,10-14,16,18,20,22,24,26H2,1-9H3/b31-17+,32-19+,33-21+,34-23+,35-25+

InChIKey

HFVOIVVMPINLKA-IDRAXAFHSA-N

Compound name

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-1,4-dimethoxybenzene

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]+	547.45094	250.5
[M+Na]+	569.43288	248.3
[M-H]-	545.43638	250.0
[M+NH4]+	564.47748	239.6
[M+K]+	585.40682	240.0
[M+H-H2O]+	529.44092	241.5
[M+HCOO]-	591.44186	236.0
[M+CH3COO]-	605.45751	259.3
[M+Na-2H]-	567.41833	235.3
[M]+	546.44311	256.3
[M]-	546.44421	256.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

547.45094

250.5

[M+Na]+

569.43288

248.3

[M-H]-

545.43638

250.0

[M+NH4]+

564.47748

239.6

[M+K]+

585.40682

240.0

[M+H-H2O]+

529.44092

241.5

[M+HCOO]-

591.44186

236.0

[M+CH3COO]-

605.45751

259.3

[M+Na-2H]-

567.41833

235.3

[M]+

546.44311

256.3

[M]-

546.44421

256.3

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

Mhph

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe