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]+ 264.15941 162.1
[M+Na]+ 286.14135 166.9
[M-H]- 262.14485 167.3
[M+NH4]+ 281.18595 175.8
[M+K]+ 302.11529 166.3
[M+H-H2O]+ 246.14939 153.8
[M+HCOO]- 308.15033 178.5
[M+CH3COO]- 322.16598 197.4
[M+Na-2H]- 284.12680 163.7
[M]+ 263.15158 161.5
[M]- 263.15268 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.