CID 191211

Tillam sulfoxide

Structural Information

Molecular Formula

C₁₀H₂₁NO₂S

SMILES

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

InChI

InChI=1S/C10H21NO2S/c1-4-7-8-11(6-3)10(12)14(13)9-5-2/h4-9H2,1-3H3

InChIKey

CLVBKBBNAPWYIO-UHFFFAOYSA-N

Compound name

N-butyl-N-ethyl-1-propylsulfinylformamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 3
Patents: 219.1293 Da
Monoisotopic Mass: 1.7
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]+	220.13658	152.4
[M+Na]+	242.11852	157.3
[M-H]-	218.12202	153.7
[M+NH4]+	237.16312	171.8
[M+K]+	258.09246	156.8
[M+H-H2O]+	202.12656	146.2
[M+HCOO]-	264.12750	169.6
[M+CH3COO]-	278.14315	193.9
[M+Na-2H]-	240.10397	151.2
[M]+	219.12875	157.7
[M]-	219.12985	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe