CID 58513580

941585-25-7

Structural Information

Molecular Formula

C₈H₁₅NO₂S

SMILES

CC(C)(C)OC(=O)N1CC(C1)S

InChI

InChI=1S/C8H15NO2S/c1-8(2,3)11-7(10)9-4-6(12)5-9/h6,12H,4-5H2,1-3H3

InChIKey

GUZYDTTYVXLGCV-UHFFFAOYSA-N

Compound name

tert-butyl 3-sulfanylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 189.08235 Da
Monoisotopic Mass: 1.2
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]+	190.08963	139.3
[M+Na]+	212.07157	144.5
[M-H]-	188.07507	141.4
[M+NH4]+	207.11617	151.9
[M+K]+	228.04551	147.1
[M+H-H2O]+	172.07961	128.1
[M+HCOO]-	234.08055	152.2
[M+CH3COO]-	248.09620	184.3
[M+Na-2H]-	210.05702	140.4
[M]+	189.08180	150.5
[M]-	189.08290	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe