CID 169997

38096-68-3

Structural Information

Molecular Formula
C28H60NO4
SMILES
CCCCCCCCCCCCCCCCCCC[N+](C)(CCOCCO)CCOCCO
InChI
InChI=1S/C28H60NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(2,21-25-32-27-23-30)22-26-33-28-24-31/h30-31H,3-28H2,1-2H3/q+1
InChIKey
WHMXSKOOSSXRQQ-UHFFFAOYSA-N
Compound name
bis[2-(2-hydroxyethoxy)ethyl]-methyl-nonadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

474.45224 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.45952 243.2
[M+Na]+ 497.44146 246.2
[M-H]- 473.44496 230.0
[M+NH4]+ 492.48606 238.8
[M+K]+ 513.41540 242.7
[M+H-H2O]+ 457.44950 234.6
[M+HCOO]- 519.45044 255.2
[M+CH3COO]- 533.46609 236.3
[M+Na-2H]- 495.42691 226.4
[M]+ 474.45169 240.7
[M]- 474.45279 240.7
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.