CID 3052950

Pyridinium, 3-dimethylcarbamoyloxy-1-(2-hydroxyethyl)-, chloride

Structural Information

Molecular Formula
C10H15N2O3
SMILES
CN(C)C(=O)OC1=C[N+](=CC=C1)CCO
InChI
InChI=1S/C10H15N2O3/c1-11(2)10(14)15-9-4-3-5-12(8-9)6-7-13/h3-5,8,13H,6-7H2,1-2H3/q+1
InChIKey
LNHMRYCMERISPI-UHFFFAOYSA-N
Compound name
[1-(2-hydroxyethyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10826 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11554 146.2
[M+Na]+ 234.09748 152.9
[M-H]- 210.10098 149.0
[M+NH4]+ 229.14208 163.2
[M+K]+ 250.07142 147.1
[M+H-H2O]+ 194.10552 141.8
[M+HCOO]- 256.10646 168.8
[M+CH3COO]- 270.12211 181.4
[M+Na-2H]- 232.08293 153.5
[M]+ 211.10771 147.4
[M]- 211.10881 147.4
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.