CID 3051441

3-hydroxymethyl-1-methylpyridinium bromide dimethylcarbamate

Structural Information

Molecular Formula
C10H15N2O2
SMILES
C[N+]1=CC=CC(=C1)COC(=O)N(C)C
InChI
InChI=1S/C10H15N2O2/c1-11(2)10(13)14-8-9-5-4-6-12(3)7-9/h4-7H,8H2,1-3H3/q+1
InChIKey
YOADJPYIEVVXOB-UHFFFAOYSA-N
Compound name
(1-methylpyridin-1-ium-3-yl)methyl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.11336 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.120636 142.7
[M+Na]+ 218.102578 150.0
[M-H]- 194.106084 146.9
[M+NH4]+ 213.147183 161.1
[M+K]+ 234.076518 144.5
[M+H-H2O]+ 178.110620 138.3
[M+HCOO]- 240.111561 166.6
[M+CH3COO]- 254.127211 182.1
[M+Na-2H]- 216.088026 150.4
[M]+ 195.11281142 144.4
[M]- 195.11390858 144.4
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.