CID 22026404

Schembl957003

Structural Information

Molecular Formula
C20H40O4
SMILES
CCCCCCCCCCCCCCCCC(C(=O)OCCO)O
InChI
InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20(23)24-18-17-21/h19,21-22H,2-18H2,1H3
InChIKey
MCLDRVCSUVVTDB-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-hydroxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

344.29266 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.299936 194.8
[M+Na]+ 367.281878 195.1
[M-H]- 343.285384 189.7
[M+NH4]+ 362.326483 206.7
[M+K]+ 383.255818 191.7
[M+H-H2O]+ 327.289920 187.7
[M+HCOO]- 389.290861 210.1
[M+CH3COO]- 403.306511 211.8
[M+Na-2H]- 365.267326 190.9
[M]+ 344.29211142 201.3
[M]- 344.29320858 201.3
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