CID 16777620

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

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC1=C(C=NN1CCO)C(=O)O
InChI
InChI=1S/C7H10N2O3/c1-5-6(7(11)12)4-8-9(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)
InChIKey
YRMIFWXRFQVKGA-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

170.06914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 134.4
[M+Na]+ 193.05836 143.4
[M-H]- 169.06186 133.3
[M+NH4]+ 188.10296 152.8
[M+K]+ 209.03230 141.6
[M+H-H2O]+ 153.06640 128.2
[M+HCOO]- 215.06734 154.6
[M+CH3COO]- 229.08299 174.0
[M+Na-2H]- 191.04381 137.6
[M]+ 170.06859 135.2
[M]- 170.06969 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