CID 3035711

140703-15-7

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CCN(CC)C(=O)S(=O)C

InChI

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

InChIKey

FQSRGOGWCPXJIN-UHFFFAOYSA-N

Compound name

N,N-diethyl-1-methylsulfinylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 123
Patents: 163.0667 Da
Monoisotopic Mass: 0.0
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]+	164.07398	136.1
[M+Na]+	186.05592	144.3
[M+NH4]+	181.10052	143.5
[M+K]+	202.02986	138.7
[M-H]-	162.05942	135.4
[M+Na-2H]-	184.04137	138.2
[M]+	163.06615	137.2
[M]-	163.06725	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe