CID 215499

35801-62-8

Structural Information

Molecular Formula

C₇H₁₃NO₂S₂

SMILES

CC1(SCC(S1)COC(=O)N)C

InChI

InChI=1S/C7H13NO2S2/c1-7(2)11-4-5(12-7)3-10-6(8)9/h5H,3-4H2,1-2H3,(H2,8,9)

InChIKey

NVMAYDSQOSXSJU-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-1,3-dithiolan-4-yl)methyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.03877 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]+	208.046046	142.3
[M+Na]+	230.027988	149.2
[M-H]-	206.031494	144.8
[M+NH4]+	225.072593	164.9
[M+K]+	246.001928	146.7
[M+H-H2O]+	190.036030	138.1
[M+HCOO]-	252.036971	153.9
[M+CH3COO]-	266.052621	183.0
[M+Na-2H]-	228.013436	141.6
[M]+	207.03822142	143.1
[M]-	207.03931858	143.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.