CID 2777841

4-amino-1-methylpyridin-1-ium iodide

Structural Information

Molecular Formula
C6H9N2
SMILES
C[N+]1=CC=C(C=C1)N
InChI
InChI=1S/C6H8N2/c1-8-4-2-6(7)3-5-8/h2-5,7H,1H3/p+1
InChIKey
JWTVWQUUKNZIHH-UHFFFAOYSA-O
Compound name
1-methylpyridin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

25
Patents

109.07658 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.08386 118.7
[M+Na]+ 132.06580 127.5
[M-H]- 108.06930 121.4
[M+NH4]+ 127.11040 139.8
[M+K]+ 148.03974 120.5
[M+H-H2O]+ 92.073840 115.7
[M+HCOO]- 154.07478 143.2
[M+CH3COO]- 168.09043 163.4
[M+Na-2H]- 130.05125 129.5
[M]+ 109.07603 115.5
[M]- 109.07713 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