CID 10013041

Imino(methyl)(piperidin-1-yl)-lambda6-sulfanone

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

CS(=N)(=O)N1CCCCC1

InChI

InChI=1S/C6H14N2OS/c1-10(7,9)8-5-3-2-4-6-8/h7H,2-6H2,1H3

InChIKey

ALYSVHJJDQLEHR-UHFFFAOYSA-N

Compound name

imino-methyl-oxo-piperidin-1-yl-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.08269 Da
Monoisotopic Mass: 2.0
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]+	163.089966	133.2
[M+Na]+	185.071908	139.0
[M-H]-	161.075414	134.9
[M+NH4]+	180.116513	152.6
[M+K]+	201.045848	136.9
[M+H-H2O]+	145.079950	127.3
[M+HCOO]-	207.080891	147.8
[M+CH3COO]-	221.096541	175.3
[M+Na-2H]-	183.057356	137.6
[M]+	162.08214142	129.2
[M]-	162.08323858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe