CID 5364420

2-hydroxyethyl oleate

Structural Information

Molecular Formula
C20H38O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCO
InChI
InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3/b10-9-
InChIKey
MUHFRORXWCGZGE-KTKRTIGZSA-N
Compound name
2-hydroxyethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15552
Patents

326.2821 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.28938 189.8
[M+Na]+ 349.27132 191.2
[M-H]- 325.27482 186.1
[M+NH4]+ 344.31592 203.3
[M+K]+ 365.24526 187.1
[M+H-H2O]+ 309.27936 182.7
[M+HCOO]- 371.28030 207.6
[M+CH3COO]- 385.29595 210.2
[M+Na-2H]- 347.25677 187.7
[M]+ 326.28155 196.6
[M]- 326.28265 196.6
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