CID 2795474

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

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey
MXGOKNNGBUOAGF-UHFFFAOYSA-N
Compound name
1-methyl-5-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

71
Patents

202.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 142.1
[M+Na]+ 225.063448 151.3
[M-H]- 201.066954 145.6
[M+NH4]+ 220.108053 159.6
[M+K]+ 241.037388 148.1
[M+H-H2O]+ 185.071490 134.5
[M+HCOO]- 247.072431 163.8
[M+CH3COO]- 261.088081 182.0
[M+Na-2H]- 223.048896 146.1
[M]+ 202.07368142 142.4
[M]- 202.07477858 142.4
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