CID 53428399

Dtxsid70699788

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CC(=C)OC(=O)N1C=CN=C1

InChI

InChI=1S/C7H8N2O2/c1-6(2)11-7(10)9-4-3-8-5-9/h3-5H,1H2,2H3

InChIKey

NXPBLWUIFYUYRO-UHFFFAOYSA-N

Compound name

prop-1-en-2-yl imidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 152.05858 Da
Monoisotopic Mass: 0.9
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	130.4
[M+Na]+	175.04780	138.7
[M-H]-	151.05130	131.6
[M+NH4]+	170.09240	150.5
[M+K]+	191.02174	138.3
[M+H-H2O]+	135.05584	123.5
[M+HCOO]-	197.05678	152.6
[M+CH3COO]-	211.07243	173.4
[M+Na-2H]-	173.03325	134.8
[M]+	152.05803	131.3
[M]-	152.05913	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe