CID 107295563

1694942-15-8

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

COC(=O)NCC1CCSC1

InChI

InChI=1S/C7H13NO2S/c1-10-7(9)8-4-6-2-3-11-5-6/h6H,2-5H2,1H3,(H,8,9)

InChIKey

VNLNUJWNEMHAQK-UHFFFAOYSA-N

Compound name

methyl N-(thiolan-3-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.0667 Da
Monoisotopic Mass: 1.0
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]+	176.07398	138.7
[M+Na]+	198.05592	145.9
[M+NH4]+	193.10052	147.0
[M+K]+	214.02986	141.0
[M-H]-	174.05942	139.7
[M+Na-2H]-	196.04137	141.5
[M]+	175.06615	140.0
[M]-	175.06725	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.