CID 5463514

9-octadecene-1,12-diol

Structural Information

Molecular Formula
C18H36O2
SMILES
CCCCCCC(C/C=C/CCCCCCCCO)O
InChI
InChI=1S/C18H36O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3/b13-10+
InChIKey
DKBBOWMEYUBDGN-JLHYYAGUSA-N
Compound name
(E)-octadec-9-ene-1,12-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

468
Patents

284.27155 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.278826 180.0
[M+Na]+ 307.260768 181.4
[M-H]- 283.264274 175.2
[M+NH4]+ 302.305373 194.5
[M+K]+ 323.234708 177.0
[M+H-H2O]+ 267.268810 173.6
[M+HCOO]- 329.269751 196.4
[M+CH3COO]- 343.285401 201.2
[M+Na-2H]- 305.246216 178.3
[M]+ 284.27100142 183.4
[M]- 284.27209858 183.4
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

patents stripe