CID 28949731

953076-87-4

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CN1C=C(C=N1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C11H10N2O2/c1-13-7-8(6-12-13)9-4-2-3-5-10(9)11(14)15/h2-7H,1H3,(H,14,15)

InChIKey

AWIQDDSSPIYOFS-UHFFFAOYSA-N

Compound name

2-(1-methylpyrazol-4-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 202.07423 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe