CID 54310878

(6r)-6-methylmorpholin-3-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C[C@@H]1CNC(=O)CO1
InChI
InChI=1S/C5H9NO2/c1-4-2-6-5(7)3-8-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m1/s1
InChIKey
SKUDAELDAIZDDT-SCSAIBSYSA-N
Compound name
(6R)-6-methylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

115.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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