CID 43581737

1251922-66-3

Structural Information

Molecular Formula

C₇H₁₄N₂O₃S

SMILES

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

InChI

InChI=1S/C7H14N2O3S/c1-6(8)7(10)9-2-4-13(11,12)5-3-9/h6H,2-5,8H2,1H3

InChIKey

GEYMYRRKAWOGSJ-UHFFFAOYSA-N

Compound name

2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 206.07251 Da
Monoisotopic Mass: -1.6
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]+	207.07979	141.4
[M+Na]+	229.06173	147.5
[M-H]-	205.06523	142.8
[M+NH4]+	224.10633	160.6
[M+K]+	245.03567	146.3
[M+H-H2O]+	189.06977	136.1
[M+HCOO]-	251.07071	155.1
[M+CH3COO]-	265.08636	182.6
[M+Na-2H]-	227.04718	142.6
[M]+	206.07196	138.9
[M]-	206.07306	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe