CID 3051877

3,4,5-trimethoxyphenyl 4-morpholinecarboxylate

Structural Information

Molecular Formula
C14H19NO6
SMILES
COC1=CC(=CC(=C1OC)OC)OC(=O)N2CCOCC2
InChI
InChI=1S/C14H19NO6/c1-17-11-8-10(9-12(18-2)13(11)19-3)21-14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey
VSLKSOXIDKKVSA-UHFFFAOYSA-N
Compound name
(3,4,5-trimethoxyphenyl) morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.12125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12853 165.5
[M+Na]+ 320.11047 171.4
[M-H]- 296.11397 171.2
[M+NH4]+ 315.15507 177.9
[M+K]+ 336.08441 172.5
[M+H-H2O]+ 280.11851 156.8
[M+HCOO]- 342.11945 183.7
[M+CH3COO]- 356.13510 200.7
[M+Na-2H]- 318.09592 168.4
[M]+ 297.12070 169.8
[M]- 297.12180 169.8
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

patents stripe