CID 3052974

1-allyl-3-dimethylcarbamoyloxypyridinium bromide

Structural Information

Molecular Formula
C11H15N2O2
SMILES
CN(C)C(=O)OC1=C[N+](=CC=C1)CC=C
InChI
InChI=1S/C11H15N2O2/c1-4-7-13-8-5-6-10(9-13)15-11(14)12(2)3/h4-6,8-9H,1,7H2,2-3H3/q+1
InChIKey
GOEQOKWSBKRFBO-UHFFFAOYSA-N
Compound name
(1-prop-2-enylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.11336 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.12064 146.1
[M+Na]+ 230.10258 153.3
[M-H]- 206.10608 150.2
[M+NH4]+ 225.14718 164.0
[M+K]+ 246.07652 147.0
[M+H-H2O]+ 190.11062 141.6
[M+HCOO]- 252.11156 169.9
[M+CH3COO]- 266.12721 184.1
[M+Na-2H]- 228.08803 153.3
[M]+ 207.11281 147.5
[M]- 207.11391 147.5
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.