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
1
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]+ 341.320276 213.6
[M+Na]+ 363.302218 214.0
[M-H]- 339.305724 210.5
[M+NH4]+ 358.346823 226.9
[M+K]+ 379.276158 210.7
[M+H-H2O]+ 323.310260 203.4
[M+HCOO]- 385.311201 220.1
[M+CH3COO]- 399.326851 225.3
[M+Na-2H]- 361.287666 211.1
[M]+ 340.31245142 225.6
[M]- 340.31354858 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.