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

17
Patents

145.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 130.8
[M+Na]+ 168.081728 135.9
[M-H]- 144.085234 130.9
[M+NH4]+ 163.126333 150.7
[M+K]+ 184.055668 133.4
[M+H-H2O]+ 128.089770 125.0
[M+HCOO]- 190.090711 143.7
[M+CH3COO]- 204.106361 170.3
[M+Na-2H]- 166.067176 133.2
[M]+ 145.09196142 126.6
[M]- 145.09305858 126.6
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