CID 120019

28706-44-7

Structural Information

Molecular Formula
C25H52NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCO
InChI
InChI=1S/C25H52NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)30-24-21-26(2,19-22-27)20-23-28/h27-28H,3-24H2,1-2H3/q+1
InChIKey
QEKMCXRFEONGAU-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

430.38965 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.39693 228.3
[M+Na]+ 453.37887 233.0
[M-H]- 429.38237 218.6
[M+NH4]+ 448.42347 225.9
[M+K]+ 469.35281 228.3
[M+H-H2O]+ 413.38691 220.8
[M+HCOO]- 475.38785 240.0
[M+CH3COO]- 489.40350 226.6
[M+Na-2H]- 451.36432 214.2
[M]+ 430.38910 226.1
[M]- 430.39020 226.1
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

patents stripe