CID 40160

Eptc sulfoxide

Structural Information

Molecular Formula

C₉H₁₉NO₂S

SMILES

CCCN(CCC)C(=O)S(=O)CC

InChI

InChI=1S/C9H19NO2S/c1-4-7-10(8-5-2)9(11)13(12)6-3/h4-8H2,1-3H3

InChIKey

PHGFGJUPOAOGMA-UHFFFAOYSA-N

Compound name

1-ethylsulfinyl-N,N-dipropylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 205.11365 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]+	206.12093	148.8
[M+Na]+	228.10287	156.4
[M+NH4]+	223.14747	155.7
[M+K]+	244.07681	150.1
[M-H]-	204.10637	148.0
[M+Na-2H]-	226.08832	150.2
[M]+	205.11310	149.7
[M]-	205.11420	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe