CID 171118761

11',12'-dihydro-?-zeacarotene

Structural Information

Molecular Formula
C40H60
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(=C)CCCC1(C)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/h11-12,16,18-20,23-25,27,29-30,39H,8,13-15,17,21-22,26,28,31H2,1-7,9-10H3/b12-11+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
InChIKey
BYJJDMWPGDFFMA-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]-1,1-dimethyl-3-methylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.4695 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.47678 242.0
[M+Na]+ 563.45872 238.7
[M-H]- 539.46222 240.5
[M+NH4]+ 558.50332 245.1
[M+K]+ 579.43266 227.4
[M+H-H2O]+ 523.46676 235.6
[M+HCOO]- 585.46770 243.4
[M+CH3COO]- 599.48335 257.2
[M+Na-2H]- 561.44417 225.2
[M]+ 540.46895 238.7
[M]- 540.47005 238.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.