CID 499485

Nsc680706

Structural Information

Molecular Formula

C₈H₂₀N₂S

SMILES

CN(C)CCSCCN(C)C

InChI

InChI=1S/C8H20N2S/c1-9(2)5-7-11-8-6-10(3)4/h5-8H2,1-4H3

InChIKey

CSOZUBZPEIKOKM-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 176.13472 Da
Monoisotopic Mass: 1.0
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]+	177.14200	142.0
[M+Na]+	199.12394	146.9
[M-H]-	175.12744	144.8
[M+NH4]+	194.16854	163.5
[M+K]+	215.09788	147.6
[M+H-H2O]+	159.13198	135.3
[M+HCOO]-	221.13292	162.2
[M+CH3COO]-	235.14857	193.8
[M+Na-2H]-	197.10939	143.5
[M]+	176.13417	146.9
[M]-	176.13527	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe