CID 380347

102070-99-5

Structural Information

Molecular Formula
C15H19NO4S
SMILES
CN1CCC(CC1)(C(=O)OC)OC(=O)SC2=CC=CC=C2
InChI
InChI=1S/C15H19NO4S/c1-16-10-8-15(9-11-16,13(17)19-2)20-14(18)21-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey
AFEAKHPNRXBSOT-UHFFFAOYSA-N
Compound name
methyl 1-methyl-4-phenylsulfanylcarbonyloxypiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1035 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.110776 170.4
[M+Na]+ 332.092718 175.2
[M-H]- 308.096224 174.8
[M+NH4]+ 327.137323 185.8
[M+K]+ 348.066658 173.3
[M+H-H2O]+ 292.100760 163.0
[M+HCOO]- 354.101701 183.0
[M+CH3COO]- 368.117351 199.3
[M+Na-2H]- 330.078166 171.1
[M]+ 309.10295142 172.1
[M]- 309.10404858 172.1
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.