CID 79779160

4-[(1-methyl-1h-pyrazol-3-yl)amino]benzoic acid

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CN1C=CC(=N1)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H11N3O2/c1-14-7-6-10(13-14)12-9-4-2-8(3-5-9)11(15)16/h2-7H,1H3,(H,12,13)(H,15,16)
InChIKey
INOUVVOCLUGPBQ-UHFFFAOYSA-N
Compound name
4-[(1-methylpyrazol-3-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 145.9
[M+Na]+ 240.07435 154.1
[M-H]- 216.07785 149.4
[M+NH4]+ 235.11895 162.4
[M+K]+ 256.04829 150.9
[M+H-H2O]+ 200.08239 137.8
[M+HCOO]- 262.08333 168.6
[M+CH3COO]- 276.09898 187.0
[M+Na-2H]- 238.05980 150.5
[M]+ 217.08458 145.5
[M]- 217.08568 145.5
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.