CID 17805752

4-(methylsulfanyl)piperidine hydrochloride

Structural Information

Molecular Formula
C6H13NS
SMILES
CSC1CCNCC1
InChI
InChI=1S/C6H13NS/c1-8-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
InChIKey
WGFYICOOQBENDY-UHFFFAOYSA-N
Compound name
4-methylsulfanylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

131.07687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 126.5
[M+Na]+ 154.066088 132.0
[M-H]- 130.069594 126.7
[M+NH4]+ 149.110693 146.9
[M+K]+ 170.040028 129.7
[M+H-H2O]+ 114.074130 120.9
[M+HCOO]- 176.075071 139.7
[M+CH3COO]- 190.090721 167.3
[M+Na-2H]- 152.051536 129.3
[M]+ 131.07632142 121.9
[M]- 131.07741858 121.9
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

patents stripe