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]+ 114.066190 118.9
[M+Na]+ 136.048132 129.2
[M-H]- 112.051638 119.1
[M+NH4]+ 131.092737 140.0
[M+K]+ 152.022072 127.2
[M+H-H2O]+ 96.056174 112.8
[M+HCOO]- 158.057115 142.5
[M+CH3COO]- 172.072765 166.7
[M+Na-2H]- 134.033580 124.7
[M]+ 113.05836542 116.5
[M]- 113.05946258 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