CID 55282853

5-methoxy-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
COC1=NNC(=C1)C(=O)O
InChI
InChI=1S/C5H6N2O3/c1-10-4-2-3(5(8)9)6-7-4/h2H,1H3,(H,6,7)(H,8,9)
InChIKey
AGPOKZYHRLRMCH-UHFFFAOYSA-N
Compound name
3-methoxy-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

142.03784 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 125.6
[M+Na]+ 165.027058 134.5
[M-H]- 141.030564 124.4
[M+NH4]+ 160.071663 144.8
[M+K]+ 181.000998 133.3
[M+H-H2O]+ 125.035100 119.4
[M+HCOO]- 187.036041 146.4
[M+CH3COO]- 201.051691 166.7
[M+Na-2H]- 163.012506 130.6
[M]+ 142.03729142 125.3
[M]- 142.03838858 125.3
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