CID 6437032

Ricinoleic acid, aminoethylethanolamine condensate

Structural Information

Molecular Formula
C22H44N2O3
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCNCCO)O
InChI
InChI=1S/C22H44N2O3/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)24-18-17-23-19-20-25/h9,12,21,23,25-26H,2-8,10-11,13-20H2,1H3,(H,24,27)/b12-9-/t21-/m1/s1
InChIKey
MXWVBGZSOBZROQ-ZDKIGPTLSA-N
Compound name
(Z,12R)-12-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.3352 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.342476 204.8
[M+Na]+ 407.324418 202.7
[M-H]- 383.327924 199.2
[M+NH4]+ 402.369023 216.3
[M+K]+ 423.298358 198.1
[M+H-H2O]+ 367.332460 196.5
[M+HCOO]- 429.333401 221.4
[M+CH3COO]- 443.349051 224.6
[M+Na-2H]- 405.309866 200.6
[M]+ 384.33465142 208.0
[M]- 384.33574858 208.0
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

No patent data available for this compound.