CID 118600767

Schembl17365146

Structural Information

Molecular Formula

SMILES

C[C@@H]1CCOC(=O)N1

InChI

InChI=1S/C5H9NO2/c1-4-2-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m1/s1

InChIKey

ULPCODYRJFRNLR-SCSAIBSYSA-N

Compound name

(4R)-4-methyl-1,3-oxazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 115.06333 Da
Monoisotopic Mass: 0.5
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]+	116.07061	121.8
[M+Na]+	138.05255	132.9
[M+NH4]+	133.09715	129.8
[M+K]+	154.02649	128.3
[M-H]-	114.05605	123.5
[M+Na-2H]-	136.03800	126.1
[M]+	115.06278	123.6
[M]-	115.06388	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe