CID 6366226

2-[bis(2-hydroxyethyl)amino]ethyl (e)-octadec-9-enoate

Structural Information

Molecular Formula
C24H47NO4
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCCN(CCO)CCO
InChI
InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h9-10,26-27H,2-8,11-23H2,1H3/b10-9+
InChIKey
FTJUZCBLWZLXFR-MDZDMXLPSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]ethyl (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

113
Patents

413.3505 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.35778 213.6
[M+Na]+ 436.33972 212.0
[M-H]- 412.34322 209.0
[M+NH4]+ 431.38432 220.6
[M+K]+ 452.31366 208.0
[M+H-H2O]+ 396.34776 205.1
[M+HCOO]- 458.34870 228.3
[M+CH3COO]- 472.36435 229.6
[M+Na-2H]- 434.32517 208.6
[M]+ 413.34995 221.8
[M]- 413.35105 221.8
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.