CID 202043

Nicotinamidine hydrochloride

Structural Information

Molecular Formula
C6H7N3
SMILES
C1=CC(=CN=C1)C(=N)N
InChI
InChI=1S/C6H7N3/c7-6(8)5-2-1-3-9-4-5/h1-4H,(H3,7,8)
InChIKey
FVGUUJNEJJPLCS-UHFFFAOYSA-N
Compound name
pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1039
Patents

121.063995 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 122.2
[M+Na]+ 144.05321 129.2
[M-H]- 120.05672 124.2
[M+NH4]+ 139.09782 142.2
[M+K]+ 160.02715 127.3
[M+H-H2O]+ 104.06126 115.6
[M+HCOO]- 166.06220 147.1
[M+CH3COO]- 180.07785 173.8
[M+Na-2H]- 142.03866 130.5
[M]+ 121.06345 117.7
[M]- 121.06454 117.7
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