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]+ 157.06078 129.3
[M+Na]+ 179.04272 138.2
[M-H]- 155.04622 129.3
[M+NH4]+ 174.08732 148.7
[M+K]+ 195.01666 137.6
[M+H-H2O]+ 139.05076 122.7
[M+HCOO]- 201.05170 151.3
[M+CH3COO]- 215.06735 172.3
[M+Na-2H]- 177.02817 134.3
[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