CID 43565362

1-(4-methoxybenzyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H12N2O3
SMILES
COC1=CC=C(C=C1)CN2C=C(C=N2)C(=O)O
InChI
InChI=1S/C12H12N2O3/c1-17-11-4-2-9(3-5-11)7-14-8-10(6-13-14)12(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChIKey
JMWJJDKQQMMJRG-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

232.0848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 151.1
[M+Na]+ 255.07402 163.4
[M+NH4]+ 250.11862 157.6
[M+K]+ 271.04796 160.0
[M-H]- 231.07752 152.2
[M+Na-2H]- 253.05947 157.6
[M]+ 232.08425 152.9
[M]- 232.08535 152.9
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