CID 45740

As-4159

Structural Information

Molecular Formula
C14H34N2O3
SMILES
CC[N+](CC)(CCO)CCOCC[N+](C)(C)CCO
InChI
InChI=1S/C14H34N2O3/c1-5-16(6-2,8-12-18)10-14-19-13-9-15(3,4)7-11-17/h17-18H,5-14H2,1-4H3/q+2
InChIKey
KGIRWHBRZKYREE-UHFFFAOYSA-N
Compound name
diethyl-(2-hydroxyethyl)-[2-[2-[2-hydroxyethyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.25696 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.26424 165.2
[M+Na]+ 301.24618 168.1
[M-H]- 277.24968 165.0
[M+NH4]+ 296.29078 203.9
[M+K]+ 317.22012 156.7
[M+H-H2O]+ 261.25422 165.3
[M+HCOO]- 323.25516 185.0
[M+CH3COO]- 337.27081 194.9
[M+Na-2H]- 299.23163 175.8
[M]+ 278.25641 167.6
[M]- 278.25751 167.6
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.