CID 5354168

Cis-13-docosenol

Structural Information

Molecular Formula
C22H44O
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCO
InChI
InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKey
CFOQKXQWGLAKSK-KTKRTIGZSA-N
Compound name
(Z)-docos-13-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11930
Patents

324.3392 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.346476 193.2
[M+Na]+ 347.328418 193.7
[M-H]- 323.331924 189.0
[M+NH4]+ 342.373023 207.0
[M+K]+ 363.302358 188.2
[M+H-H2O]+ 307.336460 186.0
[M+HCOO]- 369.337401 210.6
[M+CH3COO]- 383.353051 213.2
[M+Na-2H]- 345.313866 191.2
[M]+ 324.33865142 199.3
[M]- 324.33974858 199.3
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