CID 94808143

[(3s)-piperidin-3-yl]methanethiol hydrochloride

Structural Information

Molecular Formula
C6H13NS
SMILES
C1C[C@@H](CNC1)CS
InChI
InChI=1S/C6H13NS/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/t6-/m0/s1
InChIKey
VXNAKNXLRFUJJD-LURJTMIESA-N
Compound name
[(3S)-piperidin-3-yl]methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

131.07687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08415 126.5
[M+Na]+ 154.06609 132.0
[M-H]- 130.06959 126.7
[M+NH4]+ 149.11069 146.9
[M+K]+ 170.04003 129.7
[M+H-H2O]+ 114.07413 120.9
[M+HCOO]- 176.07507 139.7
[M+CH3COO]- 190.09072 167.3
[M+Na-2H]- 152.05154 129.3
[M]+ 131.07632 121.9
[M]- 131.07742 121.9
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