CID 29584

19420-41-8

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

C#CCN1C2=CC=CC=C2OC1=O

InChI

InChI=1S/C10H7NO2/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h1,3-6H,7H2

InChIKey

BMKFKTFCOJPUGR-UHFFFAOYSA-N

Compound name

3-prop-2-ynyl-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 173.04768 Da
Monoisotopic Mass: 1.4
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]+	174.05496	134.3
[M+Na]+	196.03690	148.6
[M+NH4]+	191.08150	139.3
[M+K]+	212.01084	140.7
[M-H]-	172.04040	129.0
[M+Na-2H]-	194.02235	137.8
[M]+	173.04713	134.1
[M]-	173.04823	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe