CID 3004919

Nsc662763

Structural Information

Molecular Formula
C12H19NS
SMILES
CC#CCCCC1(CCCNC1=S)C
InChI
InChI=1S/C12H19NS/c1-3-4-5-6-8-12(2)9-7-10-13-11(12)14/h5-10H2,1-2H3,(H,13,14)
InChIKey
DRUQSDJLVBDEDD-UHFFFAOYSA-N
Compound name
3-hex-4-ynyl-3-methylpiperidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.12383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13111 148.8
[M+Na]+ 232.11305 157.2
[M-H]- 208.11655 148.7
[M+NH4]+ 227.15765 166.5
[M+K]+ 248.08699 151.5
[M+H-H2O]+ 192.12109 137.9
[M+HCOO]- 254.12203 155.9
[M+CH3COO]- 268.13768 190.8
[M+Na-2H]- 230.09850 149.3
[M]+ 209.12328 141.1
[M]- 209.12438 141.1
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.