CID 3004387

3-but-3-enylpiperidine-2-thione

Structural Information

Molecular Formula
C9H15NS
SMILES
C=CCCC1CCCNC1=S
InChI
InChI=1S/C9H15NS/c1-2-3-5-8-6-4-7-10-9(8)11/h2,8H,1,3-7H2,(H,10,11)
InChIKey
VXOQFWXXVFOTOX-UHFFFAOYSA-N
Compound name
3-but-3-enylpiperidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 137.3
[M+Na]+ 192.08173 142.9
[M-H]- 168.08523 137.3
[M+NH4]+ 187.12633 156.3
[M+K]+ 208.05567 138.6
[M+H-H2O]+ 152.08977 131.5
[M+HCOO]- 214.09071 149.8
[M+CH3COO]- 228.10636 175.7
[M+Na-2H]- 190.06718 137.9
[M]+ 169.09196 132.7
[M]- 169.09306 132.7
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.