CID 6436847

Diethanolamine, oleate ester

Structural Information

Molecular Formula
C22H43NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCNCCO
InChI
InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h9-10,23-24H,2-8,11-21H2,1H3/b10-9-
InChIKey
UHEVUYWIUKQMTJ-KTKRTIGZSA-N
Compound name
2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

369.32428 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.33156 201.4
[M+Na]+ 392.31350 201.0
[M-H]- 368.31700 197.2
[M+NH4]+ 387.35810 212.8
[M+K]+ 408.28744 196.4
[M+H-H2O]+ 352.32154 193.4
[M+HCOO]- 414.32248 219.6
[M+CH3COO]- 428.33813 221.1
[M+Na-2H]- 390.29895 198.6
[M]+ 369.32373 208.1
[M]- 369.32483 208.1
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