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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08963 141.6
[M+Na]+ 212.07157 146.0
[M-H]- 188.07507 141.5
[M+NH4]+ 207.11617 159.4
[M+K]+ 228.04551 144.0
[M+H-H2O]+ 172.07961 135.4
[M+HCOO]- 234.08055 153.7
[M+CH3COO]- 248.09620 176.6
[M+Na-2H]- 210.05702 142.5
[M]+ 189.08180 139.2
[M]- 189.08290 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.