CID 23521539

278788-74-2

Structural Information

Molecular Formula

C₉H₁₇NO₃S

SMILES

CC(C)(C)OC(=O)N1CCS(=O)CC1

InChI

InChI=1S/C9H17NO3S/c1-9(2,3)13-8(11)10-4-6-14(12)7-5-10/h4-7H2,1-3H3

InChIKey

WCSAOXAANHXOPS-UHFFFAOYSA-N

Compound name

tert-butyl 1-oxo-1,4-thiazinane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 219.09291 Da
Monoisotopic Mass: -0.1
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]+	220.10019	148.3
[M+Na]+	242.08213	154.3
[M-H]-	218.08563	150.1
[M+NH4]+	237.12673	166.1
[M+K]+	258.05607	153.3
[M+H-H2O]+	202.09017	142.5
[M+HCOO]-	264.09111	160.5
[M+CH3COO]-	278.10676	183.6
[M+Na-2H]-	240.06758	149.5
[M]+	219.09236	148.7
[M]-	219.09346	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe