CID 22276228

1211487-14-7

Structural Information

Molecular Formula
C7H15NS
SMILES
CSCC1CCCNC1
InChI
InChI=1S/C7H15NS/c1-9-6-7-3-2-4-8-5-7/h7-8H,2-6H2,1H3
InChIKey
XFEURNJWWUGWNL-UHFFFAOYSA-N
Compound name
3-(methylsulfanylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

145.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 131.0
[M+Na]+ 168.08173 141.3
[M+NH4]+ 163.12633 140.5
[M+K]+ 184.05567 132.7
[M-H]- 144.08523 132.8
[M+Na-2H]- 166.06718 135.6
[M]+ 145.09196 133.3
[M]- 145.09306 133.3
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