CID 45734

As-4101

Structural Information

Molecular Formula
C18H42N2O
SMILES
CCCC[N+](C)(C)CCOCC[N+](CC)(CC)CCCC
InChI
InChI=1S/C18H42N2O/c1-7-11-13-19(5,6)15-17-21-18-16-20(9-3,10-4)14-12-8-2/h7-18H2,1-6H3/q+2
InChIKey
GFBCHNJHWHEIOR-UHFFFAOYSA-N
Compound name
butyl-[2-[2-[butyl(diethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.3297 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.33698 177.7
[M+Na]+ 325.31892 180.2
[M-H]- 301.32242 179.7
[M+NH4]+ 320.36352 223.8
[M+K]+ 341.29286 168.7
[M+H-H2O]+ 285.32696 177.0
[M+HCOO]- 347.32790 246.0
[M+CH3COO]- 361.34355 209.0
[M+Na-2H]- 323.30437 186.7
[M]+ 302.32915 182.7
[M]- 302.33025 182.7
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.