CID 211837

23598-89-2

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CCCN1CC(OC1=O)COCC#C

InChI

InChI=1S/C10H15NO3/c1-3-5-11-7-9(14-10(11)12)8-13-6-4-2/h2,9H,3,5-8H2,1H3

InChIKey

SCMARODWSHMZGY-UHFFFAOYSA-N

Compound name

3-propyl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: 0.8
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]+	198.112476	136.2
[M+Na]+	220.094418	145.7
[M-H]-	196.097924	137.1
[M+NH4]+	215.139023	152.7
[M+K]+	236.068358	144.1
[M+H-H2O]+	180.102460	123.8
[M+HCOO]-	242.103401	151.5
[M+CH3COO]-	256.119051	191.5
[M+Na-2H]-	218.079866	139.2
[M]+	197.10465142	133.6
[M]-	197.10574858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.