CID 413556

6295-87-0

Structural Information

Molecular Formula
C5H7N2
SMILES
C1=CC=[N+](C=C1)N
InChI
InChI=1S/C5H7N2/c6-7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKey
PFZCOWLKXHIVII-UHFFFAOYSA-N
Compound name
pyridin-1-ium-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

2466
Patents

95.06092 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.068196 114.2
[M+Na]+ 118.05014 122.5
[M-H]- 94.053644 116.7
[M+NH4]+ 113.09474 135.6
[M+K]+ 134.02408 115.8
[M+H-H2O]+ 78.058180 111.2
[M+HCOO]- 140.05912 139.0
[M+CH3COO]- 154.07477 159.3
[M+Na-2H]- 116.03559 126.3
[M]+ 95.060371 110.3
[M]- 95.061469 110.3
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