CID 2777841

7680-59-3

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

24
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 116.4
[M+Na]+ 132.06580 131.7
[M+NH4]+ 127.11040 126.9
[M+K]+ 148.03974 126.0
[M-H]- 108.06930 121.0
[M+Na-2H]- 130.05125 125.8
[M]+ 109.07603 120.2
[M]- 109.07713 120.2
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