CID 23361779

5-methoxy-1,3-dimethyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC1=NN(C(=C1C(=O)O)OC)C
InChI
InChI=1S/C7H10N2O3/c1-4-5(7(10)11)6(12-3)9(2)8-4/h1-3H3,(H,10,11)
InChIKey
GUZMIQWLRGBSCK-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

170.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 132.8
[M+Na]+ 193.05836 143.2
[M-H]- 169.06186 133.5
[M+NH4]+ 188.10296 152.3
[M+K]+ 209.03230 142.4
[M+H-H2O]+ 153.06640 126.8
[M+HCOO]- 215.06734 154.5
[M+CH3COO]- 229.08299 177.7
[M+Na-2H]- 191.04381 136.0
[M]+ 170.06859 136.0
[M]- 170.06969 136.0
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