CID 894260

30817-36-8

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1COCCN1C(=O)COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H15NO4/c15-9-11-1-3-12(4-2-11)18-10-13(16)14-5-7-17-8-6-14/h1-4,9H,5-8,10H2
InChIKey
KHQZOOBUOHUYHO-UHFFFAOYSA-N
Compound name
4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

21
Patents

249.10011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 154.7
[M+Na]+ 272.089328 159.7
[M-H]- 248.092834 159.7
[M+NH4]+ 267.133933 168.4
[M+K]+ 288.063268 159.1
[M+H-H2O]+ 232.097370 146.2
[M+HCOO]- 294.098311 173.1
[M+CH3COO]- 308.113961 190.7
[M+Na-2H]- 270.074776 159.3
[M]+ 249.09956142 154.2
[M]- 249.10065858 154.2
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