CID 21452

39464-69-2

Structural Information

Molecular Formula
C20H40O2
SMILES
CCCCCCCCC=CCCCCCCCCOCCO
InChI
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3
InChIKey
KWVPFECTOKLOBL-UHFFFAOYSA-N
Compound name
2-octadec-9-enoxyethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

84
References

14292
Patents

312.30283 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.31011 187.4
[M+Na]+ 335.29205 188.7
[M-H]- 311.29555 183.6
[M+NH4]+ 330.33665 201.6
[M+K]+ 351.26599 184.2
[M+H-H2O]+ 295.30009 180.3
[M+HCOO]- 357.30103 205.7
[M+CH3COO]- 371.31668 209.0
[M+Na-2H]- 333.27750 186.5
[M]+ 312.30228 194.2
[M]- 312.30338 194.2
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