CID 171120245

2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,1-dimethyl-3-methylidenecyclohexane

Structural Information

Molecular Formula
C40H56
SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1C(CCCC1=C)(C)C)/C)/C)/C=C/C=C(/C=C/C2C(CCCC2=C)(C)C)\C
InChI
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28,37-38H,5-6,15-16,23-24,29-30H2,1-4,7-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKey
UPYKUZBSLRQECL-JLTXGRSLSA-N
Compound name
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,1-dimethyl-3-methylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.4382 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.44548 232.6
[M+Na]+ 559.42742 230.8
[M-H]- 535.43092 234.4
[M+NH4]+ 554.47202 242.0
[M+K]+ 575.40136 218.8
[M+H-H2O]+ 519.43546 226.3
[M+HCOO]- 581.43640 238.0
[M+CH3COO]- 595.45205 254.3
[M+Na-2H]- 557.41287 217.9
[M]+ 536.43765 223.8
[M]- 536.43875 223.8
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.