CID 7017625

1-(hydroxymethyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
C1=CN(N=C1C(=O)O)CO
InChI
InChI=1S/C5H6N2O3/c8-3-7-2-1-4(6-7)5(9)10/h1-2,8H,3H2,(H,9,10)
InChIKey
OGPOFIOGUMQLPN-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

142.03784 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 125.6
[M+Na]+ 165.027058 134.5
[M-H]- 141.030564 124.4
[M+NH4]+ 160.071663 144.8
[M+K]+ 181.000998 133.3
[M+H-H2O]+ 125.035100 119.4
[M+HCOO]- 187.036041 146.4
[M+CH3COO]- 201.051691 166.7
[M+Na-2H]- 163.012506 130.6
[M]+ 142.03729142 125.3
[M]- 142.03838858 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe