CID 5481177

58481-05-3

Structural Information

Molecular Formula
C6H6N4O3
SMILES
C1=CN=C(C=C1C(=O)NN)[N+](=O)[O-]
InChI
InChI=1S/C6H6N4O3/c7-9-6(11)4-1-2-8-5(3-4)10(12)13/h1-3H,7H2,(H,9,11)
InChIKey
AEVNJSOYFOFWDU-UHFFFAOYSA-N
Compound name
2-nitropyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

182.04399 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05127 131.1
[M+Na]+ 205.03321 137.7
[M-H]- 181.03671 133.5
[M+NH4]+ 200.07781 147.8
[M+K]+ 221.00715 132.5
[M+H-H2O]+ 165.04125 128.6
[M+HCOO]- 227.04219 157.4
[M+CH3COO]- 241.05784 177.3
[M+Na-2H]- 203.01866 140.1
[M]+ 182.04344 127.0
[M]- 182.04454 127.0
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