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]+ 196.12064 142.7
[M+Na]+ 218.10258 150.0
[M-H]- 194.10608 146.9
[M+NH4]+ 213.14718 161.1
[M+K]+ 234.07652 144.5
[M+H-H2O]+ 178.11062 138.3
[M+HCOO]- 240.11156 166.6
[M+CH3COO]- 254.12721 182.1
[M+Na-2H]- 216.08803 150.4
[M]+ 195.11281 144.4
[M]- 195.11391 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.