CID 20063801

5,5-dimethylmorpholin-3-one

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1(COCC(=O)N1)C
InChI
InChI=1S/C6H11NO2/c1-6(2)4-9-3-5(8)7-6/h3-4H2,1-2H3,(H,7,8)
InChIKey
UMKITYNQJPXUST-UHFFFAOYSA-N
Compound name
5,5-dimethylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

129.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 124.7
[M+Na]+ 152.068198 132.1
[M-H]- 128.071704 126.2
[M+NH4]+ 147.112803 145.5
[M+K]+ 168.042138 132.3
[M+H-H2O]+ 112.076240 119.9
[M+HCOO]- 174.077181 142.9
[M+CH3COO]- 188.092831 167.1
[M+Na-2H]- 150.053646 132.5
[M]+ 129.07843142 121.4
[M]- 129.07952858 121.4
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

patents stripe