CID 121283

2014-29-1

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1=C(C(=CC=C1)C)OC(=O)C(C)N2CCOCC2
InChI
InChI=1S/C15H21NO3/c1-11-5-4-6-12(2)14(11)19-15(17)13(3)16-7-9-18-10-8-16/h4-6,13H,7-10H2,1-3H3
InChIKey
CXIRYTJQZBXCQT-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-morpholin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.1
[M+Na]+ 286.141348 166.9
[M-H]- 262.144854 167.3
[M+NH4]+ 281.185953 175.8
[M+K]+ 302.115288 166.3
[M+H-H2O]+ 246.149390 153.8
[M+HCOO]- 308.150331 178.5
[M+CH3COO]- 322.165981 197.4
[M+Na-2H]- 284.126796 163.7
[M]+ 263.15158142 161.5
[M]- 263.15267858 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.