CID 3286882

4-acetyl-1-methylpyridinium

Structural Information

Molecular Formula
C8H10NO
SMILES
CC(=O)C1=CC=[N+](C=C1)C
InChI
InChI=1S/C8H10NO/c1-7(10)8-3-5-9(2)6-4-8/h3-6H,1-2H3/q+1
InChIKey
FDKGIXCUGKPNRB-UHFFFAOYSA-N
Compound name
1-(1-methylpyridin-1-ium-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

619
Patents

136.07623 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.083506 125.9
[M+Na]+ 159.065448 134.8
[M-H]- 135.068954 129.0
[M+NH4]+ 154.110053 146.4
[M+K]+ 175.039388 128.1
[M+H-H2O]+ 119.073490 122.8
[M+HCOO]- 181.074431 148.7
[M+CH3COO]- 195.090081 167.3
[M+Na-2H]- 157.050896 135.1
[M]+ 136.07568142 125.2
[M]- 136.07677858 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe