CID 17609320

1-(4-methylphenyl)-5-oxo-2,5-dihydro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=CC=C(C=C1)N2C(=O)C=C(N2)C(=O)O
InChI
InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)13-10(14)6-9(12-13)11(15)16/h2-6,12H,1H3,(H,15,16)
InChIKey
UQTYFQPJMSJTOW-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.06914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 146.8
[M+Na]+ 241.05836 159.1
[M+NH4]+ 236.10296 152.8
[M+K]+ 257.03230 156.4
[M-H]- 217.06186 147.2
[M+Na-2H]- 239.04381 152.5
[M]+ 218.06859 148.3
[M]- 218.06969 148.3
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

No patent data available for this compound.