CID 78434

Ethanethiol, 2-piperidino-

Structural Information

Molecular Formula
C7H15NS
SMILES
C1CCN(CC1)CCS
InChI
InChI=1S/C7H15NS/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
InChIKey
LXNAJQBFIIYIIS-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

145.09251 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 131.0
[M+Na]+ 168.08173 141.8
[M+NH4]+ 163.12633 140.9
[M+K]+ 184.05567 132.9
[M-H]- 144.08523 133.3
[M+Na-2H]- 166.06718 136.1
[M]+ 145.09196 133.6
[M]- 145.09306 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe