CID 135741982

5-nitro-1h-pyrazol-3-amine hydrochloride

Structural Information

Molecular Formula
C3H4N4O2
SMILES
C1=C(NN=C1N)[N+](=O)[O-]
InChI
InChI=1S/C3H4N4O2/c4-2-1-3(6-5-2)7(8)9/h1H,(H3,4,5,6)
InChIKey
MGIIQXTUOQUWTE-UHFFFAOYSA-N
Compound name
5-nitro-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

128.03343 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.040706 118.5
[M+Na]+ 151.022648 126.7
[M-H]- 127.026154 118.5
[M+NH4]+ 146.067253 137.6
[M+K]+ 166.996588 121.2
[M+H-H2O]+ 111.030690 116.5
[M+HCOO]- 173.031631 143.3
[M+CH3COO]- 187.047281 162.2
[M+Na-2H]- 149.008096 127.4
[M]+ 128.03288142 113.3
[M]- 128.03397858 113.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe