CID 165737904

2803862-38-4

Structural Information

Molecular Formula

C₁₁H₁₉NO₂S

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(C2)S

InChI

InChI=1S/C11H19NO2S/c1-10(2,3)14-9(13)12-6-11(7-12)4-8(15)5-11/h8,15H,4-7H2,1-3H3

InChIKey

TVIWWZXARUJJFG-UHFFFAOYSA-N

Compound name

tert-butyl 6-sulfanyl-2-azaspiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11365 Da
Monoisotopic Mass: 1.8
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]+	230.120926	143.2
[M+Na]+	252.102868	145.8
[M-H]-	228.106374	146.5
[M+NH4]+	247.147473	149.2
[M+K]+	268.076808	150.6
[M+H-H2O]+	212.110910	128.6
[M+HCOO]-	274.111851	152.8
[M+CH3COO]-	288.127501	199.6
[M+Na-2H]-	250.088316	144.7
[M]+	229.11310142	161.0
[M]-	229.11419858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.