CID 534448

Ethylthiododecane

Structural Information

Molecular Formula

C₁₄H₃₀S

SMILES

CCCCCCCCCCCCSCC

InChI

InChI=1S/C14H30S/c1-3-5-6-7-8-9-10-11-12-13-14-15-4-2/h3-14H2,1-2H3

InChIKey

QECBTJWQRXCSCU-UHFFFAOYSA-N

Compound name

1-ethylsulfanyldodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 860
Patents: 230.20682 Da
Monoisotopic Mass: 6.8
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]+	231.21410	159.3
[M+Na]+	253.19604	163.3
[M-H]-	229.19954	158.3
[M+NH4]+	248.24064	178.3
[M+K]+	269.16998	160.1
[M+H-H2O]+	213.20408	153.2
[M+HCOO]-	275.20502	175.1
[M+CH3COO]-	289.22067	195.4
[M+Na-2H]-	251.18149	158.7
[M]+	230.20627	165.7
[M]-	230.20737	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.