CID 61683930

4-[(ethylsulfanyl)methyl]piperidine hydrochloride

Structural Information

Molecular Formula
C8H17NS
SMILES
CCSCC1CCNCC1
InChI
InChI=1S/C8H17NS/c1-2-10-7-8-3-5-9-6-4-8/h8-9H,2-7H2,1H3
InChIKey
OQXRTQUMUGWVGU-UHFFFAOYSA-N
Compound name
4-(ethylsulfanylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

159.10817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 135.2
[M+Na]+ 182.097388 139.7
[M-H]- 158.100894 135.0
[M+NH4]+ 177.141993 154.4
[M+K]+ 198.071328 137.0
[M+H-H2O]+ 142.105430 129.1
[M+HCOO]- 204.106371 147.7
[M+CH3COO]- 218.122021 173.3
[M+Na-2H]- 180.082836 137.0
[M]+ 159.10762142 131.3
[M]- 159.10871858 131.3
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