CID 29036357

5-cyclopropyl-1-(2-hydroxyethyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1CC1C2=C(C=NN2CCO)C(=O)O
InChI
InChI=1S/C9H12N2O3/c12-4-3-11-8(6-1-2-6)7(5-10-11)9(13)14/h5-6,12H,1-4H2,(H,13,14)
InChIKey
SOIRIDQPHKUNDS-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.0848 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 145.0
[M+Na]+ 219.07402 156.2
[M+NH4]+ 214.11862 151.6
[M+K]+ 235.04796 155.4
[M-H]- 195.07752 151.3
[M+Na-2H]- 217.05947 151.1
[M]+ 196.08425 149.1
[M]- 196.08535 149.1
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