CID 145913565

2377031-20-2

Structural Information

Molecular Formula

C₁₃H₂₅NO₂S

SMILES

CCSCC1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H25NO2S/c1-5-17-10-11-6-8-14(9-7-11)12(15)16-13(2,3)4/h11H,5-10H2,1-4H3

InChIKey

PFVYCZUQMSJKLL-UHFFFAOYSA-N

Compound name

tert-butyl 4-(ethylsulfanylmethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 259.1606 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.16788	163.8
[M+Na]+	282.14982	172.2
[M+NH4]+	277.19442	171.0
[M+K]+	298.12376	165.2
[M-H]-	258.15332	163.8
[M+Na-2H]-	280.13527	165.9
[M]+	259.16005	165.3
[M]-	259.16115	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe