CID 3032826

Usaf pd-74

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₂

SMILES

CC(C)(C)NC(=S)C(=S)NC(C)(C)C

InChI

InChI=1S/C10H20N2S2/c1-9(2,3)11-7(13)8(14)12-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)

InChIKey

NGWBYIDKLSDROL-UHFFFAOYSA-N

Compound name

N,N'-ditert-butylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.1068 Da
Monoisotopic Mass: 2.4
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]+	233.11408	154.5
[M+Na]+	255.09602	158.8
[M-H]-	231.09952	154.0
[M+NH4]+	250.14062	172.4
[M+K]+	271.06996	155.0
[M+H-H2O]+	215.10406	148.7
[M+HCOO]-	277.10500	162.4
[M+CH3COO]-	291.12065	194.5
[M+Na-2H]-	253.08147	153.9
[M]+	232.10625	153.9
[M]-	232.10735	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe