CID 920934

Morpholine, 1-((2,5-dimethylphenoxy)acetyl)-

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC1=CC(=C(C=C1)C)OCC(=O)N2CCOCC2
InChI
InChI=1S/C14H19NO3/c1-11-3-4-12(2)13(9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKey
KNQDRJJBJVAOSS-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.6
[M+Na]+ 272.12571 163.1
[M-H]- 248.12921 162.9
[M+NH4]+ 267.17031 172.0
[M+K]+ 288.09965 162.2
[M+H-H2O]+ 232.13375 149.4
[M+HCOO]- 294.13469 175.3
[M+CH3COO]- 308.15034 193.5
[M+Na-2H]- 270.11116 160.9
[M]+ 249.13594 157.2
[M]- 249.13704 157.2
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.