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]+ 250.143766 157.6
[M+Na]+ 272.125708 165.7
[M-H]- 248.129214 162.6
[M+NH4]+ 267.170313 172.2
[M+K]+ 288.099648 163.5
[M+H-H2O]+ 232.133750 150.2
[M+HCOO]- 294.134691 174.7
[M+CH3COO]- 308.150341 194.6
[M+Na-2H]- 270.111156 159.5
[M]+ 249.13594142 157.3
[M]- 249.13703858 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.