CID 564962

Einecs 228-566-6

Structural Information

Molecular Formula
C5H6N2
SMILES
C1=CC=[N+](C=C1)[NH-]
InChI
InChI=1S/C5H6N2/c6-7-4-2-1-3-5-7/h1-6H
InChIKey
LWBPCECUDKEKAD-UHFFFAOYSA-N
Compound name
pyridin-1-ium-1-ylazanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

94.0531 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.060376 113.3
[M+Na]+ 117.04232 121.0
[M-H]- 93.045824 114.5
[M+NH4]+ 112.08692 134.2
[M+K]+ 133.01626 114.6
[M+H-H2O]+ 77.050360 112.5
[M+HCOO]- 139.05130 138.0
[M+CH3COO]- 153.06695 156.9
[M+Na-2H]- 115.02777 125.3
[M]+ 94.052551 107.9
[M]- 94.053649 107.9
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