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
1
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]+ 341.320276 193.9
[M+Na]+ 363.302218 193.9
[M-H]- 339.305724 194.6
[M+NH4]+ 358.346823 207.3
[M+K]+ 379.276158 187.9
[M+H-H2O]+ 323.310260 186.7
[M+HCOO]- 385.311201 207.0
[M+CH3COO]- 399.326851 219.4
[M+Na-2H]- 361.287666 186.1
[M]+ 340.31245142 191.6
[M]- 340.31354858 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.