CID 146082089

2408969-02-6

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₃S

SMILES

CC1(CN(CCS1(=N)=O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H22N2O3S/c1-10(2,3)16-9(14)13-6-7-17(12,15)11(4,5)8-13/h12H,6-8H2,1-5H3

InChIKey

IGMVWZDKWNGAPO-UHFFFAOYSA-N

Compound name

tert-butyl 1-imino-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.1351 Da
Monoisotopic Mass: 2.2
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]+	263.142376	154.8
[M+Na]+	285.124318	161.7
[M-H]-	261.127824	156.8
[M+NH4]+	280.168923	174.7
[M+K]+	301.098258	160.4
[M+H-H2O]+	245.132360	151.0
[M+HCOO]-	307.133301	167.4
[M+CH3COO]-	321.148951	194.2
[M+Na-2H]-	283.109766	158.6
[M]+	262.13455142	155.8
[M]-	262.13564858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.