CID 6437479

Ethanaminium, 2-hydroxy-n,n-dimethyl-n-(2-((1-oxo-9-octadecenyl)amino)ethyl)-, methyl sulfate

Structural Information

Molecular Formula
C24H49N2O2
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NCC[N+](C)(C)CCO
InChI
InChI=1S/C24H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(2,3)22-23-27/h11-12,27H,4-10,13-23H2,1-3H3/p+1/b12-11+
InChIKey
UCGJYHKHYQXPHS-VAWYXSNFSA-O
Compound name
2-hydroxyethyl-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.3794 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.38668 209.0
[M+Na]+ 420.36862 207.9
[M-H]- 396.37212 224.4
[M+NH4]+ 415.41322 229.5
[M+K]+ 436.34256 197.9
[M+H-H2O]+ 380.37666 204.0
[M+HCOO]- 442.37760 244.1
[M+CH3COO]- 456.39325 225.9
[M+Na-2H]- 418.35407 209.4
[M]+ 397.37885 228.5
[M]- 397.37995 228.5
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.