CID 79834

5767-84-0

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)O
InChI
InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22/h2-18H2,1H3,(H,21,22)
InChIKey
HWLBIEAKJSRKOD-UHFFFAOYSA-N
Compound name
2-octadecanoyloxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

342.277 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.284276 192.9
[M+Na]+ 365.266218 193.9
[M-H]- 341.269724 189.2
[M+NH4]+ 360.310823 205.6
[M+K]+ 381.240158 190.8
[M+H-H2O]+ 325.274260 185.7
[M+HCOO]- 387.275201 209.9
[M+CH3COO]- 401.290851 213.5
[M+Na-2H]- 363.251666 189.6
[M]+ 342.27645142 200.6
[M]- 342.27754858 200.6
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