CID 39870461

Sodium 1-(prop-2-en-1-yl)-1h-imidazole-2-carboxylate

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C=CCN1C=CN=C1C(=O)O

InChI

InChI=1S/C7H8N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h2-3,5H,1,4H2,(H,10,11)

InChIKey

JOVFIISAKDMWDA-UHFFFAOYSA-N

Compound name

1-prop-2-enylimidazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 152.05858 Da
Monoisotopic Mass: 0.6
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]+	153.06586	131.7
[M+Na]+	175.04780	142.2
[M+NH4]+	170.09240	138.1
[M+K]+	191.02174	139.5
[M-H]-	151.05130	130.3
[M+Na-2H]-	173.03325	135.7
[M]+	152.05803	132.4
[M]-	152.05913	132.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.