CID 373270

Nsc649423

Structural Information

Molecular Formula
C11H19NS
SMILES
CC1CCCN(C1=S)CCCC=C
InChI
InChI=1S/C11H19NS/c1-3-4-5-8-12-9-6-7-10(2)11(12)13/h3,10H,1,4-9H2,2H3
InChIKey
WJPOKTWMHZMQLE-UHFFFAOYSA-N
Compound name
3-methyl-1-pent-4-enylpiperidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12383 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13111 144.7
[M+Na]+ 220.11305 150.8
[M-H]- 196.11655 146.3
[M+NH4]+ 215.15765 163.6
[M+K]+ 236.08699 147.0
[M+H-H2O]+ 180.12109 138.5
[M+HCOO]- 242.12203 158.1
[M+CH3COO]- 256.13768 185.5
[M+Na-2H]- 218.09850 144.2
[M]+ 197.12328 143.2
[M]- 197.12438 143.2
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.