CID 168832

94138-97-3

Structural Information

Molecular Formula
C27H58NO4
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(CCOCCO)CCOCCO
InChI
InChI=1S/C27H58NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(2,20-24-31-26-22-29)21-25-32-27-23-30/h29-30H,3-27H2,1-2H3/q+1
InChIKey
QNFGNLKWSGXDNE-UHFFFAOYSA-N
Compound name
bis[2-(2-hydroxyethoxy)ethyl]-methyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

460.43658 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.44386 239.6
[M+Na]+ 483.42580 242.8
[M-H]- 459.42930 226.7
[M+NH4]+ 478.47040 235.2
[M+K]+ 499.39974 238.8
[M+H-H2O]+ 443.43384 231.1
[M+HCOO]- 505.43478 252.0
[M+CH3COO]- 519.45043 233.4
[M+Na-2H]- 481.41125 223.3
[M]+ 460.43603 237.2
[M]- 460.43713 237.2
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.