CID 73538

3-amino-1h-pyrazol-5(4h)-one

Structural Information

Molecular Formula
C3H5N3O
SMILES
C1C(=NNC1=O)N
InChI
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H2,(H2,4,5)(H,6,7)
InChIKey
UELIBMUMKLRTKJ-UHFFFAOYSA-N
Compound name
3-amino-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

99.04326 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 116.4
[M+Na]+ 122.03248 125.9
[M+NH4]+ 117.07708 123.6
[M+K]+ 138.00642 123.8
[M-H]- 98.035984 115.9
[M+Na-2H]- 120.01793 120.7
[M]+ 99.042711 117.1
[M]- 99.043809 117.1
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

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