CID 44146221

Einecs 251-734-5

Structural Information

Molecular Formula
C21H42O4
SMILES
CC(COC(=O)CCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C21H42O4/c1-20(23)19-25-21(24)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22/h20,22-23H,2-19H2,1H3
InChIKey
NTJATJHDZRPEBK-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 18-hydroxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

608
Patents

358.30832 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.315596 199.2
[M+Na]+ 381.297538 199.0
[M-H]- 357.301044 193.8
[M+NH4]+ 376.342143 210.5
[M+K]+ 397.271478 195.5
[M+H-H2O]+ 341.305580 191.9
[M+HCOO]- 403.306521 214.1
[M+CH3COO]- 417.322171 214.7
[M+Na-2H]- 379.282986 194.8
[M]+ 358.30777142 206.0
[M]- 358.30886858 206.0
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