CID 3052956

Pyridinium, 3-dimethylcarbamoyloxy-1-(2-methylallyl)-, bromide

Structural Information

Molecular Formula
C12H17N2O2
SMILES
CC(=C)C[N+]1=CC=CC(=C1)OC(=O)N(C)C
InChI
InChI=1S/C12H17N2O2/c1-10(2)8-14-7-5-6-11(9-14)16-12(15)13(3)4/h5-7,9H,1,8H2,2-4H3/q+1
InChIKey
JYEHQBTUALNWOP-UHFFFAOYSA-N
Compound name
[1-(2-methylprop-2-enyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.129 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13628 150.5
[M+Na]+ 244.11822 157.0
[M-H]- 220.12172 154.5
[M+NH4]+ 239.16282 167.8
[M+K]+ 260.09216 150.9
[M+H-H2O]+ 204.12626 146.0
[M+HCOO]- 266.12720 173.0
[M+CH3COO]- 280.14285 187.9
[M+Na-2H]- 242.10367 156.0
[M]+ 221.12845 151.6
[M]- 221.12955 151.6
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.