CID 3131596

1181556-77-3

Structural Information

Molecular Formula

C₈H₁₈N₂O₂S

SMILES

CN(C)CCNC1CCS(=O)(=O)C1

InChI

InChI=1S/C8H18N2O2S/c1-10(2)5-4-9-8-3-6-13(11,12)7-8/h8-9H,3-7H2,1-2H3

InChIKey

GOWLRXOPUKQNAO-UHFFFAOYSA-N

Compound name

N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.1089 Da
Monoisotopic Mass: -0.6
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]+	207.116176	143.0
[M+Na]+	229.098118	149.3
[M-H]-	205.101624	147.7
[M+NH4]+	224.142723	166.2
[M+K]+	245.072058	148.5
[M+H-H2O]+	189.106160	137.8
[M+HCOO]-	251.107101	163.3
[M+CH3COO]-	265.122751	189.2
[M+Na-2H]-	227.083566	145.3
[M]+	206.10835142	144.5
[M]-	206.10944858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe