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
1
Annotation Hits

0
References

281
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 180.0
[M+Na]+ 307.26077 181.4
[M-H]- 283.26427 175.2
[M+NH4]+ 302.30537 194.5
[M+K]+ 323.23471 177.0
[M+H-H2O]+ 267.26881 173.6
[M+HCOO]- 329.26975 196.4
[M+CH3COO]- 343.28540 201.2
[M+Na-2H]- 305.24622 178.3
[M]+ 284.27100 183.4
[M]- 284.27210 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