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

3
Patents

297.12125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.128526 165.5
[M+Na]+ 320.110468 171.4
[M-H]- 296.113974 171.2
[M+NH4]+ 315.155073 177.9
[M+K]+ 336.084408 172.5
[M+H-H2O]+ 280.118510 156.8
[M+HCOO]- 342.119451 183.7
[M+CH3COO]- 356.135101 200.7
[M+Na-2H]- 318.095916 168.4
[M]+ 297.12070142 169.8
[M]- 297.12179858 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