CID 573207

1-(2-hydroxyethyl)-3-methyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC1=NN(C(=C1)C(=O)O)CCO
InChI
InChI=1S/C7H10N2O3/c1-5-4-6(7(11)12)9(8-5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)
InChIKey
FOKYHSZFJQNCNU-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-5-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.06914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 134.4
[M+Na]+ 193.058358 143.4
[M-H]- 169.061864 133.3
[M+NH4]+ 188.102963 152.8
[M+K]+ 209.032298 141.6
[M+H-H2O]+ 153.066400 128.2
[M+HCOO]- 215.067341 154.6
[M+CH3COO]- 229.082991 174.0
[M+Na-2H]- 191.043806 137.6
[M]+ 170.06859142 135.2
[M]- 170.06968858 135.2
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