CID 135400197

32962-46-2

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C#CCN=C1NC(=O)C(O1)C2=CC=CC=C2

InChI

InChI=1S/C12H10N2O2/c1-2-8-13-12-14-11(15)10(16-12)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,13,14,15)

InChIKey

WWTYGEPOGPVBJS-UHFFFAOYSA-N

Compound name

5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 214.07423 Da
Monoisotopic Mass: 1.5
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]+	215.08151	150.6
[M+Na]+	237.06345	161.8
[M+NH4]+	232.10805	154.3
[M+K]+	253.03739	154.2
[M-H]-	213.06695	146.0
[M+Na-2H]-	235.04890	153.0
[M]+	214.07368	149.8
[M]-	214.07478	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe