CID 4056917

5-amino-1-(2-methoxyphenyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H11N3O3
SMILES
COC1=CC=CC=C1N2C(=C(C=N2)C(=O)O)N
InChI
InChI=1S/C11H11N3O3/c1-17-9-5-3-2-4-8(9)14-10(12)7(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChIKey
IUVPZSGLZLPMBN-UHFFFAOYSA-N
Compound name
5-amino-1-(2-methoxyphenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.087326 149.2
[M+Na]+ 256.069268 158.2
[M-H]- 232.072774 152.6
[M+NH4]+ 251.113873 165.0
[M+K]+ 272.043208 155.2
[M+H-H2O]+ 216.077310 141.2
[M+HCOO]- 278.078251 171.5
[M+CH3COO]- 292.093901 189.9
[M+Na-2H]- 254.054716 152.1
[M]+ 233.07950142 149.6
[M]- 233.08059858 149.6
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