CID 182299

61520-54-5

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCC1=CC=CC(=C1N2C(COC(C2=O)O)C)C
InChI
InChI=1S/C14H19NO3/c1-4-11-7-5-6-9(2)12(11)15-10(3)8-18-14(17)13(15)16/h5-7,10,14,17H,4,8H2,1-3H3
InChIKey
QPDFDZIXZFNQDJ-UHFFFAOYSA-N
Compound name
4-(2-ethyl-6-methylphenyl)-2-hydroxy-5-methylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.6
[M+Na]+ 272.12571 165.7
[M-H]- 248.12921 162.6
[M+NH4]+ 267.17031 172.2
[M+K]+ 288.09965 163.5
[M+H-H2O]+ 232.13375 150.2
[M+HCOO]- 294.13469 174.7
[M+CH3COO]- 308.15034 194.6
[M+Na-2H]- 270.11116 159.5
[M]+ 249.13594 157.3
[M]- 249.13704 157.3
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.