CID 113313

63512-53-8

Structural Information

Molecular Formula

C₁₀H₁₇NO₂S

SMILES

CCCCCCCN1C(=O)COC1=S

InChI

InChI=1S/C10H17NO2S/c1-2-3-4-5-6-7-11-9(12)8-13-10(11)14/h2-8H2,1H3

InChIKey

NSFWJZWXHLAUMO-UHFFFAOYSA-N

Compound name

3-heptyl-2-sulfanylidene-1,3-oxazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.098 Da
Monoisotopic Mass: 3.2
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]+	216.10528	151.3
[M+Na]+	238.08722	160.6
[M+NH4]+	233.13182	158.6
[M+K]+	254.06116	154.6
[M-H]-	214.09072	152.6
[M+Na-2H]-	236.07267	152.4
[M]+	215.09745	153.2
[M]-	215.09855	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.