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
4
Annotation Hits

3
References

21587
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 162.2
[M+Na]+ 286.12362 166.2
[M-H]- 262.12712 166.3
[M+NH4]+ 281.16822 177.7
[M+K]+ 302.09756 162.7
[M+H-H2O]+ 246.13166 154.6
[M+HCOO]- 308.13260 173.6
[M+CH3COO]- 322.14825 193.5
[M+Na-2H]- 284.10907 163.5
[M]+ 263.13385 159.7
[M]- 263.13495 159.7
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