CID 46398720

1282329-59-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

156.0535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 128.8
[M+Na]+ 179.04272 138.7
[M-H]- 155.04622 129.2
[M+NH4]+ 174.08732 148.5
[M+K]+ 195.01666 138.1
[M+H-H2O]+ 139.05076 122.6
[M+HCOO]- 201.05170 150.8
[M+CH3COO]- 215.06735 173.5
[M+Na-2H]- 177.02817 133.1
[M]+ 156.05295 131.2
[M]- 156.05405 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

No literature data available for this compound.

Patent stripe

patents stripe