CID 13597

N-methylpyridinium

Structural Information

Molecular Formula
C6H8N
SMILES
C[N+]1=CC=CC=C1
InChI
InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1
InChIKey
PQBAWAQIRZIWIV-UHFFFAOYSA-N
Compound name
1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

178
References

15244
Patents

94.065674 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.072950 114.9
[M+Na]+ 117.05489 123.7
[M-H]- 93.058398 117.8
[M+NH4]+ 112.09950 137.0
[M+K]+ 133.02883 117.3
[M+H-H2O]+ 77.062934 112.1
[M+HCOO]- 139.06388 139.0
[M+CH3COO]- 153.07952 158.6
[M+Na-2H]- 115.04034 127.2
[M]+ 94.065125 113.1
[M]- 94.066223 113.1
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