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

256
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 130.3
[M+Na]+ 168.08173 135.8
[M-H]- 144.08523 131.8
[M+NH4]+ 163.12633 150.9
[M+K]+ 184.05567 134.3
[M+H-H2O]+ 128.08977 124.2
[M+HCOO]- 190.09071 144.7
[M+CH3COO]- 204.10636 173.0
[M+Na-2H]- 166.06718 133.1
[M]+ 145.09196 128.0
[M]- 145.09306 128.0
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