CID 45742

As-4147

Structural Information

Molecular Formula
C20H46N2O
SMILES
CCCCC[N+](C)(C)CCOCC[N+](CC)(CC)CCCCC
InChI
InChI=1S/C20H46N2O/c1-7-11-13-15-21(5,6)17-19-23-20-18-22(9-3,10-4)16-14-12-8-2/h7-20H2,1-6H3/q+2
InChIKey
XGFBRECXNSUDTH-UHFFFAOYSA-N
Compound name
2-[2-[diethyl(pentyl)azaniumyl]ethoxy]ethyl-dimethyl-pentylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.36102 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.36830 187.1
[M+Na]+ 353.35024 188.7
[M-H]- 329.35374 188.6
[M+NH4]+ 348.39484 231.3
[M+K]+ 369.32418 176.7
[M+H-H2O]+ 313.35828 186.0
[M+HCOO]- 375.35922 252.9
[M+CH3COO]- 389.37487 215.0
[M+Na-2H]- 351.33569 195.0
[M]+ 330.36047 192.8
[M]- 330.36157 192.8
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.