CID 3078711

122183-32-8

Structural Information

Molecular Formula
C9H13N2O3
SMILES
CN(C)C(=O)O[N+]1=CC=C(C=C1)OC
InChI
InChI=1S/C9H13N2O3/c1-10(2)9(12)14-11-6-4-8(13-3)5-7-11/h4-7H,1-3H3/q+1
InChIKey
POBBPYPWLILZJV-UHFFFAOYSA-N
Compound name
(4-methoxypyridin-1-ium-1-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09262 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09990 141.0
[M+Na]+ 220.08184 148.6
[M-H]- 196.08534 145.4
[M+NH4]+ 215.12644 159.3
[M+K]+ 236.05578 143.9
[M+H-H2O]+ 180.08988 136.6
[M+HCOO]- 242.09082 165.5
[M+CH3COO]- 256.10647 181.1
[M+Na-2H]- 218.06729 149.3
[M]+ 197.09207 143.7
[M]- 197.09317 143.7
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.