CID 3252368

1-amino-2-methylpyridinium iodide

Structural Information

Molecular Formula
C6H9N2
SMILES
CC1=CC=CC=[N+]1N
InChI
InChI=1S/C6H9N2/c1-6-4-2-3-5-8(6)7/h2-5H,7H2,1H3/q+1
InChIKey
NNCLLCVOGHUVNC-UHFFFAOYSA-N
Compound name
2-methylpyridin-1-ium-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

109.07658 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.083856 118.7
[M+Na]+ 132.065798 127.5
[M-H]- 108.069304 121.4
[M+NH4]+ 127.110403 139.8
[M+K]+ 148.039738 120.5
[M+H-H2O]+ 92.073840 115.7
[M+HCOO]- 154.074781 143.2
[M+CH3COO]- 168.090431 163.4
[M+Na-2H]- 130.051246 129.5
[M]+ 109.07603142 115.5
[M]- 109.07712858 115.5
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

patents stripe