CID 689833

3-methoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]benzaldehyde

Structural Information

Molecular Formula
C14H17NO5
SMILES
COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCOCC2
InChI
InChI=1S/C14H17NO5/c1-18-13-8-11(9-16)2-3-12(13)20-10-14(17)15-4-6-19-7-5-15/h2-3,8-9H,4-7,10H2,1H3
InChIKey
BQTSMYCTOXDRPF-UHFFFAOYSA-N
Compound name
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

279.1107 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 161.7
[M+Na]+ 302.09992 167.1
[M-H]- 278.10342 167.0
[M+NH4]+ 297.14452 174.4
[M+K]+ 318.07386 166.9
[M+H-H2O]+ 262.10796 153.0
[M+HCOO]- 324.10890 180.0
[M+CH3COO]- 338.12455 197.1
[M+Na-2H]- 300.08537 165.2
[M]+ 279.11015 163.5
[M]- 279.11125 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe