CID 96221

3-amino-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C3H5N3O
SMILES
C1=C(NNC1=O)N
InChI
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)
InChIKey
QZBGOTVBHYKUDS-UHFFFAOYSA-N
Compound name
5-amino-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2128
Patents

99.04326 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 115.2
[M+Na]+ 122.03248 124.5
[M-H]- 98.035984 113.7
[M+NH4]+ 117.07708 135.7
[M+K]+ 138.00642 121.8
[M+H-H2O]+ 82.040520 109.1
[M+HCOO]- 144.04146 137.6
[M+CH3COO]- 158.05711 160.0
[M+Na-2H]- 120.01793 121.7
[M]+ 99.042711 110.2
[M]- 99.043809 110.2
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