CID 20841385

Dtxsid60887612

Structural Information

Molecular Formula
C22H43NO2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCO
InChI
InChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h6-7,9-10,24-25H,2-5,8,11-22H2,1H3/b7-6-,10-9-
InChIKey
ZTGPMSMCXDRUOY-HZJYTTRNSA-N
Compound name
2-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.32938 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.33666 199.0
[M+Na]+ 376.31860 198.6
[M-H]- 352.32210 194.8
[M+NH4]+ 371.36320 211.1
[M+K]+ 392.29254 193.5
[M+H-H2O]+ 336.32664 191.2
[M+HCOO]- 398.32758 216.9
[M+CH3COO]- 412.34323 219.2
[M+Na-2H]- 374.30405 196.1
[M]+ 353.32883 204.2
[M]- 353.32993 204.2
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.