CID 46318299

2-(4-iodo-1h-pyrazol-1-yl)propanoic acid

Structural Information

Molecular Formula

C₆H₇IN₂O₂

SMILES

CC(C(=O)O)N1C=C(C=N1)I

InChI

InChI=1S/C6H7IN2O2/c1-4(6(10)11)9-3-5(7)2-8-9/h2-4H,1H3,(H,10,11)

InChIKey

VPXFCAUGPKPCFF-UHFFFAOYSA-N

Compound name

2-(4-iodopyrazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 265.95523 Da
Monoisotopic Mass: 1.0
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]+	266.96251	141.8
[M+Na]+	288.94445	144.2
[M+NH4]+	283.98905	143.9
[M+K]+	304.91839	145.5
[M-H]-	264.94795	134.2
[M+Na-2H]-	286.92990	132.9
[M]+	265.95468	138.5
[M]-	265.95578	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe