CID 101893051

2344685-36-3

Structural Information

Molecular Formula

C₇H₁₆N₂OS

SMILES

CS(=NC1CCNCC1)(=O)C

InChI

InChI=1S/C7H16N2OS/c1-11(2,10)9-7-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3

InChIKey

SLKXFDZVWATTSI-UHFFFAOYSA-N

Compound name

dimethyl-oxo-piperidin-4-ylimino-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 176.09833 Da
Monoisotopic Mass: 0.4
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]+	177.10561	137.8
[M+Na]+	199.08755	143.2
[M-H]-	175.09105	139.3
[M+NH4]+	194.13215	156.7
[M+K]+	215.06149	141.0
[M+H-H2O]+	159.09559	131.7
[M+HCOO]-	221.09653	152.1
[M+CH3COO]-	235.11218	177.6
[M+Na-2H]-	197.07300	141.7
[M]+	176.09778	134.0
[M]-	176.09888	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe