CID 115687280

1603297-08-0

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CN(CCSC)C(=O)OC

InChI

InChI=1S/C6H13NO2S/c1-7(4-5-10-3)6(8)9-2/h4-5H2,1-3H3

InChIKey

CRNUNAVLDWUNIT-UHFFFAOYSA-N

Compound name

methyl N-methyl-N-(2-methylsulfanylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.0667 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]+	164.07398	134.9
[M+Na]+	186.05592	141.4
[M-H]-	162.05942	136.8
[M+NH4]+	181.10052	156.6
[M+K]+	202.02986	142.1
[M+H-H2O]+	146.06396	129.3
[M+HCOO]-	208.06490	154.2
[M+CH3COO]-	222.08055	181.9
[M+Na-2H]-	184.04137	136.8
[M]+	163.06615	140.0
[M]-	163.06725	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe