CID 82416212

2-(1-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl)acetic acid

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CN1C(=O)C(C=N1)CC(=O)O
InChI
InChI=1S/C6H8N2O3/c1-8-6(11)4(3-7-8)2-5(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKey
KQAFATXRZHJLOQ-UHFFFAOYSA-N
Compound name
2-(1-methyl-5-oxo-4H-pyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.0535 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 131.8
[M+Na]+ 179.04272 141.4
[M+NH4]+ 174.08732 137.6
[M+K]+ 195.01666 139.9
[M-H]- 155.04622 129.7
[M+Na-2H]- 177.02817 134.4
[M]+ 156.05295 132.0
[M]- 156.05405 132.0
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

No patent data available for this compound.