CID 30986

Tetraethylcystamine

Structural Information

Molecular Formula

C₁₂H₂₈N₂S₂

SMILES

CCN(CC)CCSSCCN(CC)CC

InChI

InChI=1S/C12H28N2S2/c1-5-13(6-2)9-11-15-16-12-10-14(7-3)8-4/h5-12H2,1-4H3

InChIKey

MNAQQAGUKWXGLG-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethyldisulfanyl]-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 49
Patents: 264.1694 Da
Monoisotopic Mass: 2.5
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]+	265.17668	162.7
[M+Na]+	287.15862	165.7
[M-H]-	263.16212	164.2
[M+NH4]+	282.20322	180.6
[M+K]+	303.13256	163.5
[M+H-H2O]+	247.16666	154.8
[M+HCOO]-	309.16760	175.4
[M+CH3COO]-	323.18325	210.1
[M+Na-2H]-	285.14407	160.5
[M]+	264.16885	169.5
[M]-	264.16995	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe