CID 53211645

1211466-29-3

Structural Information

Molecular Formula
C7H15NS
SMILES
CSCC1CCNCC1
InChI
InChI=1S/C7H15NS/c1-9-6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3
InChIKey
HNEFTEGGNGLDEM-UHFFFAOYSA-N
Compound name
4-(methylsulfanylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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 130.8
[M+Na]+ 168.08173 135.9
[M-H]- 144.08523 130.9
[M+NH4]+ 163.12633 150.7
[M+K]+ 184.05567 133.4
[M+H-H2O]+ 128.08977 125.0
[M+HCOO]- 190.09071 143.7
[M+CH3COO]- 204.10636 170.3
[M+Na-2H]- 166.06718 133.2
[M]+ 145.09196 126.6
[M]- 145.09306 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