CID 61685121

Methyl 2-(piperidin-4-ylsulfanyl)acetate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂S

SMILES

COC(=O)CSC1CCNCC1

InChI

InChI=1S/C8H15NO2S/c1-11-8(10)6-12-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3

InChIKey

AVLPFVKIWBCCOE-UHFFFAOYSA-N

Compound name

methyl 2-piperidin-4-ylsulfanylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.08235 Da
Monoisotopic Mass: 0.9
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]+	190.089626	141.6
[M+Na]+	212.071568	146.0
[M-H]-	188.075074	141.5
[M+NH4]+	207.116173	159.4
[M+K]+	228.045508	144.0
[M+H-H2O]+	172.079610	135.4
[M+HCOO]-	234.080551	153.7
[M+CH3COO]-	248.096201	176.6
[M+Na-2H]-	210.057016	142.5
[M]+	189.08180142	139.2
[M]-	189.08289858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.