CID 87212466

Hydroxyoleyl alcohol

Structural Information

Molecular Formula
C18H36O2
SMILES
C(CCCCO)CCC/C=C\CCCCCCCCO
InChI
InChI=1S/C18H36O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-2,19-20H,3-18H2/b2-1-
InChIKey
XUSRQFSIUJWCKT-UPHRSURJSA-N
Compound name
(Z)-octadec-9-ene-1,18-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

284.27155 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.27883 178.8
[M+Na]+ 307.26077 180.5
[M-H]- 283.26427 174.0
[M+NH4]+ 302.30537 193.5
[M+K]+ 323.23471 175.7
[M+H-H2O]+ 267.26881 172.4
[M+HCOO]- 329.26975 196.3
[M+CH3COO]- 343.28540 200.5
[M+Na-2H]- 305.24622 178.5
[M]+ 284.27100 183.0
[M]- 284.27210 183.0
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