CID 60274

108903-57-7

Structural Information

Molecular Formula
C13H30N2O2
SMILES
CC(C)(CC(=O)OCC[N+](C)(C)C)[N+](C)(C)C
InChI
InChI=1S/C13H30N2O2/c1-13(2,15(6,7)8)11-12(16)17-10-9-14(3,4)5/h9-11H2,1-8H3/q+2
InChIKey
ZDOKINDJAMZRLV-UHFFFAOYSA-N
Compound name
trimethyl-[2-methyl-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.23073 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.23801 152.0
[M+Na]+ 269.21995 157.0
[M-H]- 245.22345 155.4
[M+NH4]+ 264.26455 170.5
[M+K]+ 285.19389 147.7
[M+H-H2O]+ 229.22799 153.1
[M+HCOO]- 291.22893 172.7
[M+CH3COO]- 305.24458 194.7
[M+Na-2H]- 267.20540 164.3
[M]+ 246.23018 154.4
[M]- 246.23128 154.4
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.