CID 103079114

2751611-48-8

Structural Information

Molecular Formula
C4H7N3O
SMILES
CN1C=C(C(=O)N1)N
InChI
InChI=1S/C4H7N3O/c1-7-2-3(5)4(8)6-7/h2H,5H2,1H3,(H,6,8)
InChIKey
AUZHYHBJZVEQNI-UHFFFAOYSA-N
Compound name
4-amino-2-methyl-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.058914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 118.9
[M+Na]+ 136.04813 129.2
[M-H]- 112.05164 119.1
[M+NH4]+ 131.09274 140.0
[M+K]+ 152.02207 127.2
[M+H-H2O]+ 96.056174 112.8
[M+HCOO]- 158.05712 142.5
[M+CH3COO]- 172.07276 166.7
[M+Na-2H]- 134.03358 124.7
[M]+ 113.05837 116.5
[M]- 113.05946 116.5
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