CID 171119963

Crannenol b

Structural Information

Molecular Formula
C17H26O2
SMILES
C/C(=C\C/C=C(/C)\C=C)/CC/C=C(/C)\COC(=O)C
InChI
InChI=1S/C17H26O2/c1-6-14(2)9-7-10-15(3)11-8-12-16(4)13-19-17(5)18/h6,9-10,12H,1,7-8,11,13H2,2-5H3/b14-9-,15-10+,16-12-
InChIKey
CVZSGAMDFIAZKB-LANRBNROSA-N
Compound name
[(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 168.3
[M+Na]+ 285.18249 172.0
[M-H]- 261.18599 167.3
[M+NH4]+ 280.22709 185.1
[M+K]+ 301.15643 168.7
[M+H-H2O]+ 245.19053 162.7
[M+HCOO]- 307.19147 186.2
[M+CH3COO]- 321.20712 200.5
[M+Na-2H]- 283.16794 164.9
[M]+ 262.19272 170.4
[M]- 262.19382 170.4
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.