CID 44441311

1401555-38-1

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

C1=C(NN=C1C(=O)O)CO

InChI

InChI=1S/C5H6N2O3/c8-2-3-1-4(5(9)10)7-6-3/h1,8H,2H2,(H,6,7)(H,9,10)

InChIKey

OKEYZZIQFMYAIA-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-1H-pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 142.03784 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.045116	126.5
[M+Na]+	165.027058	135.0
[M-H]-	141.030564	124.0
[M+NH4]+	160.071663	145.0
[M+K]+	181.000998	132.8
[M+H-H2O]+	125.035100	120.5
[M+HCOO]-	187.036041	145.8
[M+CH3COO]-	201.051691	164.2
[M+Na-2H]-	163.012506	130.9
[M]+	142.03729142	124.3
[M]-	142.03838858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe