CID 3033260

Usaf mk-77

Structural Information

Molecular Formula

C₁₈H₃₆N₂S₂

SMILES

CCCCCCCCNC(=S)C(=S)NCCCCCCCC

InChI

InChI=1S/C18H36N2S2/c1-3-5-7-9-11-13-15-19-17(21)18(22)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)

InChIKey

BJLNKPXPIHTAIA-UHFFFAOYSA-N

Compound name

N,N'-dioctylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 344.232 Da
Monoisotopic Mass: 7.3
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]+	345.23928	185.4
[M+Na]+	367.22122	185.7
[M-H]-	343.22472	182.8
[M+NH4]+	362.26582	198.6
[M+K]+	383.19516	179.0
[M+H-H2O]+	327.22926	177.1
[M+HCOO]-	389.23020	193.7
[M+CH3COO]-	403.24585	218.6
[M+Na-2H]-	365.20667	179.9
[M]+	344.23145	188.9
[M]-	344.23255	188.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe