CID 135645043

3-(4-hydroxyphenyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)O
InChI
InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
InChIKey
YAYDMJNTBGROTD-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

204.0535 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 141.7
[M+Na]+ 227.04272 150.2
[M-H]- 203.04622 142.6
[M+NH4]+ 222.08732 157.6
[M+K]+ 243.01666 146.1
[M+H-H2O]+ 187.05076 134.6
[M+HCOO]- 249.05170 160.9
[M+CH3COO]- 263.06735 176.3
[M+Na-2H]- 225.02817 145.3
[M]+ 204.05295 139.3
[M]- 204.05405 139.3
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

patents stripe