CID 3032897

N,n'-di-n-hexyldithiooxamide

Structural Information

Molecular Formula

C₁₄H₂₈N₂S₂

SMILES

CCCCCCNC(=S)C(=S)NCCCCCC

InChI

InChI=1S/C14H28N2S2/c1-3-5-7-9-11-15-13(17)14(18)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)

InChIKey

VVCNSLBJUGLILN-UHFFFAOYSA-N

Compound name

N,N'-dihexylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 288.1694 Da
Monoisotopic Mass: 5.1
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]+	289.17668	169.4
[M+Na]+	311.15862	171.4
[M-H]-	287.16212	167.6
[M+NH4]+	306.20322	184.9
[M+K]+	327.13256	165.6
[M+H-H2O]+	271.16666	161.8
[M+HCOO]-	333.16760	178.9
[M+CH3COO]-	347.18325	207.0
[M+Na-2H]-	309.14407	165.5
[M]+	288.16885	171.5
[M]-	288.16995	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe