CID 40163

Butylate sulfoxide

Structural Information

Molecular Formula

C₁₁H₂₃NO₂S

SMILES

CCS(=O)C(=O)N(CC(C)C)CC(C)C

InChI

InChI=1S/C11H23NO2S/c1-6-15(14)11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3

InChIKey

OASGLEDGYHQIPH-UHFFFAOYSA-N

Compound name

1-ethylsulfinyl-N,N-bis(2-methylpropyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.14494 Da
Monoisotopic Mass: 2.2
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]+	234.152216	156.7
[M+Na]+	256.134158	160.7
[M-H]-	232.137664	157.9
[M+NH4]+	251.178763	175.4
[M+K]+	272.108098	161.0
[M+H-H2O]+	216.142200	150.6
[M+HCOO]-	278.143141	171.5
[M+CH3COO]-	292.158791	198.7
[M+Na-2H]-	254.119606	152.9
[M]+	233.14439142	161.2
[M]-	233.14548858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe