CID 11821627

Cis-11-octadecenol

Structural Information

Molecular Formula
C18H36O
SMILES
CCCCCC/C=C\CCCCCCCCCCO
InChI
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h7-8,19H,2-6,9-18H2,1H3/b8-7-
InChIKey
XMLQWXUVTXCDDL-FPLPWBNLSA-N
Compound name
(Z)-octadec-11-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

288
Patents

268.2766 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.28388 175.6
[M+Na]+ 291.26582 177.8
[M-H]- 267.26932 172.3
[M+NH4]+ 286.31042 191.7
[M+K]+ 307.23976 173.4
[M+H-H2O]+ 251.27386 169.2
[M+HCOO]- 313.27480 194.4
[M+CH3COO]- 327.29045 201.2
[M+Na-2H]- 289.25127 175.8
[M]+ 268.27605 180.2
[M]- 268.27715 180.2
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

patents stripe