CID 43133817

1-(2-ethylphenyl)-4-hydroxy-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCC1=CC=CC=C1N2C=C(C(=N2)C(=O)O)O
InChI
InChI=1S/C12H12N2O3/c1-2-8-5-3-4-6-9(8)14-7-10(15)11(13-14)12(16)17/h3-7,15H,2H2,1H3,(H,16,17)
InChIKey
ARTCTQOJUBWBNM-UHFFFAOYSA-N
Compound name
1-(2-ethylphenyl)-4-hydroxypyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 150.0
[M+Na]+ 255.07402 159.1
[M-H]- 231.07752 152.4
[M+NH4]+ 250.11862 165.9
[M+K]+ 271.04796 155.4
[M+H-H2O]+ 215.08206 142.6
[M+HCOO]- 277.08300 170.1
[M+CH3COO]- 291.09865 185.9
[M+Na-2H]- 253.05947 152.4
[M]+ 232.08425 150.7
[M]- 232.08535 150.7
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.