CID 14329435

3-methoxy-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CN1C=C(C(=N1)OC)C(=O)O
InChI
InChI=1S/C6H8N2O3/c1-8-3-4(6(9)10)5(7-8)11-2/h3H,1-2H3,(H,9,10)
InChIKey
VABYAAYEPSRUOM-UHFFFAOYSA-N
Compound name
3-methoxy-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

190
Patents

156.0535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 128.8
[M+Na]+ 179.042718 138.7
[M-H]- 155.046224 129.2
[M+NH4]+ 174.087323 148.5
[M+K]+ 195.016658 138.1
[M+H-H2O]+ 139.050760 122.6
[M+HCOO]- 201.051701 150.8
[M+CH3COO]- 215.067351 173.5
[M+Na-2H]- 177.028166 133.1
[M]+ 156.05295142 131.2
[M]- 156.05404858 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe