CID 13446789

57861-20-8

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC1=C(C(=NN1)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H11N3O2/c1-7-9(11(15)16)10(14-13-7)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)(H2,12,13,14)
InChIKey
KUVGVYIZXUNKKJ-UHFFFAOYSA-N
Compound name
3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.08513 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 147.7
[M+Na]+ 240.07435 158.8
[M+NH4]+ 235.11895 154.0
[M+K]+ 256.04829 155.9
[M-H]- 216.07785 149.0
[M+Na-2H]- 238.05980 154.0
[M]+ 217.08458 149.3
[M]- 217.08568 149.3
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