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]+ 130.08626 125.5
[M+Na]+ 152.06820 132.9
[M-H]- 128.07170 127.0
[M+NH4]+ 147.11280 144.6
[M+K]+ 168.04214 132.8
[M+H-H2O]+ 112.07624 120.1
[M+HCOO]- 174.07718 143.6
[M+CH3COO]- 188.09283 168.7
[M+Na-2H]- 150.05365 131.4
[M]+ 129.07843 122.2
[M]- 129.07953 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.