CID 55303247

(2s,5s)-2,5-dimethylmorpholin-3-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
C[C@H]1CO[C@H](C(=O)N1)C
InChI
InChI=1S/C6H11NO2/c1-4-3-9-5(2)6(8)7-4/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m0/s1
InChIKey
PXUHHGXEYLACSR-WHFBIAKZSA-N
Compound name
(2S,5S)-2,5-dimethylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

129.07898 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 125.5
[M+Na]+ 152.068198 132.9
[M-H]- 128.071704 127.0
[M+NH4]+ 147.112803 144.6
[M+K]+ 168.042138 132.8
[M+H-H2O]+ 112.076240 120.1
[M+HCOO]- 174.077181 143.6
[M+CH3COO]- 188.092831 168.7
[M+Na-2H]- 150.053646 131.4
[M]+ 129.07843142 122.2
[M]- 129.07952858 122.2
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

No patent data available for this compound.