CID 60280

108955-72-2

Structural Information

Molecular Formula
C12H28N2O2
SMILES
CC(CC(=O)OCC[N+](C)(C)C)[N+](C)(C)C
InChI
InChI=1S/C12H28N2O2/c1-11(14(5,6)7)10-12(15)16-9-8-13(2,3)4/h11H,8-10H2,1-7H3/q+2
InChIKey
MRLAOSZGQFOOPJ-UHFFFAOYSA-N
Compound name
trimethyl-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.21507 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.222346 149.6
[M+Na]+ 255.204288 154.3
[M-H]- 231.207794 152.9
[M+NH4]+ 250.248893 168.5
[M+K]+ 271.178228 145.2
[M+H-H2O]+ 215.212330 150.3
[M+HCOO]- 277.213271 171.1
[M+CH3COO]- 291.228921 192.0
[M+Na-2H]- 253.189736 159.7
[M]+ 232.21452142 151.5
[M]- 232.21561858 151.5
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.