CID 60780111

1-(2-hydroxyethyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H8N2O3
SMILES
C1=C(N(N=C1)CCO)C(=O)O
InChI
InChI=1S/C6H8N2O3/c9-4-3-8-5(6(10)11)1-2-7-8/h1-2,9H,3-4H2,(H,10,11)
InChIKey
MFJWLLZSAKKBGA-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

156.0535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 130.2
[M+Na]+ 179.04272 138.7
[M-H]- 155.04622 128.8
[M+NH4]+ 174.08732 148.8
[M+K]+ 195.01666 137.2
[M+H-H2O]+ 139.05076 123.8
[M+HCOO]- 201.05170 150.7
[M+CH3COO]- 215.06735 169.7
[M+Na-2H]- 177.02817 134.6
[M]+ 156.05295 130.2
[M]- 156.05405 130.2
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