CID 46738281

1189977-24-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.1
[M+Na]+ 225.06345 151.3
[M-H]- 201.06695 145.6
[M+NH4]+ 220.10805 159.6
[M+K]+ 241.03739 148.1
[M+H-H2O]+ 185.07149 134.5
[M+HCOO]- 247.07243 163.8
[M+CH3COO]- 261.08808 182.0
[M+Na-2H]- 223.04890 146.1
[M]+ 202.07368 142.4
[M]- 202.07478 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.