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]+ 233.22235 149.6
[M+Na]+ 255.20429 154.3
[M-H]- 231.20779 152.9
[M+NH4]+ 250.24889 168.5
[M+K]+ 271.17823 145.2
[M+H-H2O]+ 215.21233 150.3
[M+HCOO]- 277.21327 171.1
[M+CH3COO]- 291.22892 192.0
[M+Na-2H]- 253.18974 159.7
[M]+ 232.21452 151.5
[M]- 232.21562 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.