CID 18548847

3-(1-methyl-1h-pyrazol-5-yl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

202.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 143.4
[M+Na]+ 225.06345 156.4
[M+NH4]+ 220.10805 150.7
[M+K]+ 241.03739 152.8
[M-H]- 201.06695 145.1
[M+Na-2H]- 223.04890 150.7
[M]+ 202.07368 145.6
[M]- 202.07478 145.6
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

patents stripe