CID 20484627

83395-38-4

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C#CCOC(=O)N1C=CN=C1

InChI

InChI=1S/C7H6N2O2/c1-2-5-11-7(10)9-4-3-8-6-9/h1,3-4,6H,5H2

InChIKey

LLVCOZOEWQQTAV-UHFFFAOYSA-N

Compound name

prop-2-ynyl imidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 150.04292 Da
Monoisotopic Mass: 0.2
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]+	151.05020	131.1
[M+Na]+	173.03214	141.8
[M+NH4]+	168.07674	134.5
[M+K]+	189.00608	135.5
[M-H]-	149.03564	122.4
[M+Na-2H]-	171.01759	133.2
[M]+	150.04237	129.0
[M]-	150.04347	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe