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 139.3
[M+Na]+ 203.09167 147.3
[M-H]- 179.09517 142.1
[M+NH4]+ 198.13627 158.0
[M+K]+ 219.06561 140.6
[M+H-H2O]+ 163.09971 135.5
[M+HCOO]- 225.10065 161.7
[M+CH3COO]- 239.11630 174.6
[M+Na-2H]- 201.07712 147.4
[M]+ 180.10190 140.7
[M]- 180.10300 140.7
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.