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

271
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.