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 153.7
[M+Na]+ 248.14434 156.0
[M-H]- 224.14784 156.8
[M+NH4]+ 243.18894 172.2
[M+K]+ 264.11828 152.7
[M+H-H2O]+ 208.15238 146.4
[M+HCOO]- 270.15332 163.6
[M+CH3COO]- 284.16897 186.4
[M+Na-2H]- 246.12979 154.3
[M]+ 225.15457 146.3
[M]- 225.15567 146.3
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.