CID 54211081

1-(methoxymethyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H8N2O3
SMILES
COCN1C(=CC=N1)C(=O)O
InChI
InChI=1S/C6H8N2O3/c1-11-4-8-5(6(9)10)2-3-7-8/h2-3H,4H2,1H3,(H,9,10)
InChIKey
PVZOKQCCMGYNQJ-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 129.3
[M+Na]+ 179.042718 138.2
[M-H]- 155.046224 129.3
[M+NH4]+ 174.087323 148.7
[M+K]+ 195.016658 137.6
[M+H-H2O]+ 139.050760 122.7
[M+HCOO]- 201.051701 151.3
[M+CH3COO]- 215.067351 172.3
[M+Na-2H]- 177.028166 134.3
[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