CID 91679

Dimepiperate

Structural Information

Molecular Formula
C15H21NOS
SMILES
CC(C)(C1=CC=CC=C1)SC(=O)N2CCCCC2
InChI
InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKey
BWUPSGJXXPATLU-UHFFFAOYSA-N
Compound name
S-(2-phenylpropan-2-yl) piperidine-1-carbothioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

20059
Patents

263.1344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14168 162.1
[M+Na]+ 286.12362 173.3
[M+NH4]+ 281.16822 170.8
[M+K]+ 302.09756 164.6
[M-H]- 262.12712 165.4
[M+Na-2H]- 284.10907 168.9
[M]+ 263.13385 165.1
[M]- 263.13495 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe