CID 3065785

108847-17-2

Structural Information

Molecular Formula
C12H20N2O2
SMILES
C[N+]1=CC=CC(=C1)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C12H20N2O2/c1-13-7-5-6-11(10-13)12(15)16-9-8-14(2,3)4/h5-7,10H,8-9H2,1-4H3/q+2
InChIKey
GROFKWVBGDSCJQ-UHFFFAOYSA-N
Compound name
trimethyl-[2-(1-methylpyridin-1-ium-3-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 150.0
[M+Na]+ 247.141698 156.9
[M-H]- 223.145204 154.2
[M+NH4]+ 242.186303 167.1
[M+K]+ 263.115638 145.3
[M+H-H2O]+ 207.149740 148.8
[M+HCOO]- 269.150681 171.9
[M+CH3COO]- 283.166331 182.4
[M+Na-2H]- 245.127146 161.2
[M]+ 224.15193142 150.8
[M]- 224.15302858 150.8
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.