CID 139589960

Somaliensene a

Structural Information

Molecular Formula
C25H40
SMILES
CC1=CC[C@H]2C[C@@H]1[C@]2(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C25H40/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-17-25(6)23-16-15-22(5)24(25)18-23/h10,12,14-15,23-24H,7-9,11,13,16-18H2,1-6H3/b20-12+,21-14+/t23-,24-,25+/m0/s1
InChIKey
VJINTGNFGLYKKX-LMVZUQRVSA-N
Compound name
(1S,5S,6R)-2,6-dimethyl-6-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]bicyclo[3.1.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.313 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.32028 213.6
[M+Na]+ 363.30222 214.0
[M-H]- 339.30572 210.5
[M+NH4]+ 358.34682 226.9
[M+K]+ 379.27616 210.7
[M+H-H2O]+ 323.31026 203.4
[M+HCOO]- 385.31120 220.1
[M+CH3COO]- 399.32685 225.3
[M+Na-2H]- 361.28767 211.1
[M]+ 340.31245 225.6
[M]- 340.31355 225.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.