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

5
Patents

128.03343 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04071 118.5
[M+Na]+ 151.02265 126.7
[M-H]- 127.02615 118.5
[M+NH4]+ 146.06725 137.6
[M+K]+ 166.99659 121.2
[M+H-H2O]+ 111.03069 116.5
[M+HCOO]- 173.03163 143.3
[M+CH3COO]- 187.04728 162.2
[M+Na-2H]- 149.00810 127.4
[M]+ 128.03288 113.3
[M]- 128.03398 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