CID 145884650

1702104-77-5

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

CN(CCCSC)C(=O)OC

InChI

InChI=1S/C7H15NO2S/c1-8(7(9)10-2)5-4-6-11-3/h4-6H2,1-3H3

InChIKey

QHFLQSRNAYCHKR-UHFFFAOYSA-N

Compound name

methyl N-methyl-N-(3-methylsulfanylpropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.08235 Da
Monoisotopic Mass: 1.1
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]+	178.08963	139.4
[M+Na]+	200.07157	145.5
[M-H]-	176.07507	141.2
[M+NH4]+	195.11617	160.6
[M+K]+	216.04551	146.0
[M+H-H2O]+	160.07961	133.6
[M+HCOO]-	222.08055	158.4
[M+CH3COO]-	236.09620	184.9
[M+Na-2H]-	198.05702	140.9
[M]+	177.08180	144.9
[M]-	177.08290	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.