CID 139589961

Somaliensene b

Structural Information

Molecular Formula
C25H40
SMILES
CC1=CC[C@H](CC1)C(=C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C25H40/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-24(6)25-18-16-23(5)17-19-25/h10,12,14,16,25H,6-9,11,13,15,17-19H2,1-5H3/b21-12+,22-14+/t25-/m1/s1
InChIKey
BGFULIZGCATQRB-WWYOOSCYSA-N
Compound name
(4S)-1-methyl-4-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]cyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.313 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.32028 193.9
[M+Na]+ 363.30222 193.9
[M-H]- 339.30572 194.6
[M+NH4]+ 358.34682 207.3
[M+K]+ 379.27616 187.9
[M+H-H2O]+ 323.31026 186.7
[M+HCOO]- 385.31120 207.0
[M+CH3COO]- 399.32685 219.4
[M+Na-2H]- 361.28767 186.1
[M]+ 340.31245 191.6
[M]- 340.31355 191.6
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.