CID 14987887

139297-51-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

156.0535 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe