CID 155821620

2445786-93-4

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂S

SMILES

CC(C)(C)OC(=O)N1CC(C1)C2NCCCS2

InChI

InChI=1S/C12H22N2O2S/c1-12(2,3)16-11(15)14-7-9(8-14)10-13-5-4-6-17-10/h9-10,13H,4-8H2,1-3H3

InChIKey

NVZZXZLTDLECQA-UHFFFAOYSA-N

Compound name

tert-butyl 3-(1,3-thiazinan-2-yl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.1402 Da
Monoisotopic Mass: 1.7
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]+	259.147476	158.5
[M+Na]+	281.129418	160.1
[M-H]-	257.132924	159.3
[M+NH4]+	276.174023	165.7
[M+K]+	297.103358	161.0
[M+H-H2O]+	241.137460	145.3
[M+HCOO]-	303.138401	164.9
[M+CH3COO]-	317.154051	192.8
[M+Na-2H]-	279.114866	157.2
[M]+	258.13965142	163.3
[M]-	258.14074858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.