CID 3049699

Morpholine, 4-(3,4-dimethoxy-5-hydroxybenzoyl)-

Structural Information

Molecular Formula
C13H17NO5
SMILES
COC1=CC(=CC(=C1OC)O)C(=O)N2CCOCC2
InChI
InChI=1S/C13H17NO5/c1-17-11-8-9(7-10(15)12(11)18-2)13(16)14-3-5-19-6-4-14/h7-8,15H,3-6H2,1-2H3
InChIKey
CTUBBEQDXZZNHB-UHFFFAOYSA-N
Compound name
(3-hydroxy-4,5-dimethoxyphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1107 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 158.9
[M+Na]+ 290.09992 165.0
[M-H]- 266.10342 163.4
[M+NH4]+ 285.14452 171.9
[M+K]+ 306.07386 164.7
[M+H-H2O]+ 250.10796 150.9
[M+HCOO]- 312.10890 175.8
[M+CH3COO]- 326.12455 193.7
[M+Na-2H]- 288.08537 161.8
[M]+ 267.11015 159.7
[M]- 267.11125 159.7
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.