CID 3156991

4-methyl-3-phenyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=C(NN=C1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)12-13-10(7)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
SGRSFFPRUYGFGN-UHFFFAOYSA-N
Compound name
4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

202.07423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 142.8
[M+Na]+ 225.063448 151.5
[M-H]- 201.066954 144.9
[M+NH4]+ 220.108053 159.6
[M+K]+ 241.037388 147.5
[M+H-H2O]+ 185.071490 135.4
[M+HCOO]- 247.072431 163.0
[M+CH3COO]- 261.088081 179.6
[M+Na-2H]- 223.048896 146.3
[M]+ 202.07368142 141.2
[M]- 202.07477858 141.2
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