CID 132081663

Imino(methyl)(piperidin-4-yl)-lambda6-sulfanone dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

CS(=N)(=O)C1CCNCC1

InChI

InChI=1S/C6H14N2OS/c1-10(7,9)6-2-4-8-5-3-6/h6-8H,2-5H2,1H3

InChIKey

SFNMHYRSABISHC-UHFFFAOYSA-N

Compound name

imino-methyl-oxo-piperidin-4-yl-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 162.08269 Da
Monoisotopic Mass: 1.0
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	133.6
[M+Na]+	185.071908	139.0
[M-H]-	161.075414	133.8
[M+NH4]+	180.116513	152.2
[M+K]+	201.045848	136.0
[M+H-H2O]+	145.079950	128.0
[M+HCOO]-	207.080891	146.7
[M+CH3COO]-	221.096541	172.7
[M+Na-2H]-	183.057356	137.5
[M]+	162.08214142	127.7
[M]-	162.08323858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe