CID 135431279

6975-73-1

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1=C[N+](=CC=C1C(=O)NN)[O-]
InChI
InChI=1S/C6H7N3O2/c7-8-6(10)5-1-3-9(11)4-2-5/h1-4H,7H2,(H,8,10)
InChIKey
XKGCDQMJYCDBPE-UHFFFAOYSA-N
Compound name
1-oxidopyridin-1-ium-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

153.05383 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 126.7
[M+Na]+ 176.043048 134.0
[M-H]- 152.046554 127.7
[M+NH4]+ 171.087653 144.6
[M+K]+ 192.016988 127.5
[M+H-H2O]+ 136.051090 125.1
[M+HCOO]- 198.052031 151.2
[M+CH3COO]- 212.067681 167.7
[M+Na-2H]- 174.028496 135.8
[M]+ 153.05328142 121.6
[M]- 153.05437858 121.6
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