CID 210776

21602-62-0

Structural Information

Molecular Formula
C13H23NS
SMILES
C=CCC1(CCSCC1)N2CCCCC2
InChI
InChI=1S/C13H23NS/c1-2-6-13(7-11-15-12-8-13)14-9-4-3-5-10-14/h2H,1,3-12H2
InChIKey
LMWJSWIUMBNLIJ-UHFFFAOYSA-N
Compound name
1-(4-prop-2-enylthian-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.15512 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.16240 154.8
[M+Na]+ 248.14434 164.9
[M+NH4]+ 243.18894 166.0
[M+K]+ 264.11828 153.1
[M-H]- 224.14784 158.9
[M+Na-2H]- 246.12979 161.7
[M]+ 225.15457 158.0
[M]- 225.15567 158.0
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.