CID 90140612

1609964-38-6

Structural Information

Molecular Formula

C₉H₁₈N₂O₃S

SMILES

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

InChI

InChI=1S/C9H18N2O3S/c1-9(2,3)14-8(12)11-4-6-15(10,13)7-5-11/h10H,4-7H2,1-3H3

InChIKey

YCOLCFXJGBOPGF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 234.10382 Da
Monoisotopic Mass: 1.5
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]+	235.11110	150.2
[M+Na]+	257.09304	156.2
[M-H]-	233.09654	152.0
[M+NH4]+	252.13764	168.9
[M+K]+	273.06698	154.9
[M+H-H2O]+	217.10108	145.1
[M+HCOO]-	279.10202	163.4
[M+CH3COO]-	293.11767	187.2
[M+Na-2H]-	255.07849	153.6
[M]+	234.10327	149.4
[M]-	234.10437	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe