CID 2772236

329325-10-2

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

C1CS(=O)(=O)CC1NCCN

InChI

InChI=1S/C6H14N2O2S/c7-2-3-8-6-1-4-11(9,10)5-6/h6,8H,1-5,7H2

InChIKey

JPQPFWVFPFIZQV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 178.0776 Da
Monoisotopic Mass: -1.6
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]+	179.08488	134.0
[M+Na]+	201.06682	141.1
[M-H]-	177.07032	137.0
[M+NH4]+	196.11142	157.3
[M+K]+	217.04076	138.9
[M+H-H2O]+	161.07486	129.3
[M+HCOO]-	223.07580	153.9
[M+CH3COO]-	237.09145	179.2
[M+Na-2H]-	199.05227	137.0
[M]+	178.07705	132.5
[M]-	178.07815	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe