CID 15403

1,3-dithiolan-2-one, o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula

C₅H₈N₂O₂S₂

SMILES

CNC(=O)ON=C1SCCS1

InChI

InChI=1S/C5H8N2O2S2/c1-6-4(8)9-7-5-10-2-3-11-5/h2-3H2,1H3,(H,6,8)

InChIKey

PTWXDEFRSGIDOE-UHFFFAOYSA-N

Compound name

(1,3-dithiolan-2-ylideneamino) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 192.00272 Da
Monoisotopic Mass: 0.8
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]+	193.01000	138.8
[M+Na]+	214.99194	145.1
[M-H]-	190.99544	143.1
[M+NH4]+	210.03654	160.4
[M+K]+	230.96588	143.2
[M+H-H2O]+	174.99998	132.6
[M+HCOO]-	237.00092	154.2
[M+CH3COO]-	251.01657	182.2
[M+Na-2H]-	212.97739	139.6
[M]+	192.00217	139.1
[M]-	192.00327	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe