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
1
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]+ 385.34248 204.8
[M+Na]+ 407.32442 202.7
[M-H]- 383.32792 199.2
[M+NH4]+ 402.36902 216.3
[M+K]+ 423.29836 198.1
[M+H-H2O]+ 367.33246 196.5
[M+HCOO]- 429.33340 221.4
[M+CH3COO]- 443.34905 224.6
[M+Na-2H]- 405.30987 200.6
[M]+ 384.33465 208.0
[M]- 384.33575 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.