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

3
Patents

233.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 149.2
[M+Na]+ 256.06927 158.2
[M-H]- 232.07277 152.6
[M+NH4]+ 251.11387 165.0
[M+K]+ 272.04321 155.2
[M+H-H2O]+ 216.07731 141.2
[M+HCOO]- 278.07825 171.5
[M+CH3COO]- 292.09390 189.9
[M+Na-2H]- 254.05472 152.1
[M]+ 233.07950 149.6
[M]- 233.08060 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