CID 3052615

1-(2-(acetyloxy)ethyl)-4-methylpyridinium bromide

Structural Information

Molecular Formula
C10H14NO2
SMILES
CC1=CC=[N+](C=C1)CCOC(=O)C
InChI
InChI=1S/C10H14NO2/c1-9-3-5-11(6-4-9)7-8-13-10(2)12/h3-6H,7-8H2,1-2H3/q+1
InChIKey
MYLZHQRZUJQMCN-UHFFFAOYSA-N
Compound name
2-(4-methylpyridin-1-ium-1-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

180.10245 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10973 137.0
[M+Na]+ 203.09167 151.9
[M+NH4]+ 198.13627 146.0
[M+K]+ 219.06561 146.3
[M-H]- 179.09517 140.0
[M+Na-2H]- 201.07712 144.7
[M]+ 180.10190 140.3
[M]- 180.10300 140.3
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.