CID 135400192

Brn 0992602

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

CC1=CC=CC=C1C2C(=O)NC(=NCC#C)O2

InChI

InChI=1S/C13H12N2O2/c1-3-8-14-13-15-12(16)11(17-13)10-7-5-4-6-9(10)2/h1,4-7,11H,8H2,2H3,(H,14,15,16)

InChIKey

VZHPEDPLXFLTJL-UHFFFAOYSA-N

Compound name

5-(2-methylphenyl)-2-prop-2-ynylimino-1,3-oxazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.08987 Da
Monoisotopic Mass: 2.0
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]+	229.097146	151.0
[M+Na]+	251.079088	161.2
[M-H]-	227.082594	154.5
[M+NH4]+	246.123693	165.8
[M+K]+	267.053028	156.2
[M+H-H2O]+	211.087130	137.3
[M+HCOO]-	273.088071	167.3
[M+CH3COO]-	287.103721	197.8
[M+Na-2H]-	249.064536	153.1
[M]+	228.08932142	144.3
[M]-	228.09041858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.