CID 201856

7029-79-0

Structural Information

Molecular Formula
C14H19NO3
SMILES
COC(=O)C(CN1CCOCC1)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO3/c1-17-14(16)13(12-5-3-2-4-6-12)11-15-7-9-18-10-8-15/h2-6,13H,7-11H2,1H3
InChIKey
LAQSYDAEJMGNLW-UHFFFAOYSA-N
Compound name
methyl 3-morpholin-4-yl-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.0
[M+Na]+ 272.12571 161.2
[M-H]- 248.12921 162.6
[M+NH4]+ 267.17031 171.6
[M+K]+ 288.09965 160.8
[M+H-H2O]+ 232.13375 149.4
[M+HCOO]- 294.13469 174.7
[M+CH3COO]- 308.15034 192.1
[M+Na-2H]- 270.11116 161.5
[M]+ 249.13594 156.1
[M]- 249.13704 156.1
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.