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]+ 225.15976 150.0
[M+Na]+ 247.14170 156.9
[M-H]- 223.14520 154.2
[M+NH4]+ 242.18630 167.1
[M+K]+ 263.11564 145.3
[M+H-H2O]+ 207.14974 148.8
[M+HCOO]- 269.15068 171.9
[M+CH3COO]- 283.16633 182.4
[M+Na-2H]- 245.12715 161.2
[M]+ 224.15193 150.8
[M]- 224.15303 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.