CID 13543376

Methyl 4-benzyl-5-oxomorpholine-3-carboxylate

Structural Information

Molecular Formula
C13H15NO4
SMILES
COC(=O)C1COCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO4/c1-17-13(16)11-8-18-9-12(15)14(11)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
UTUDPLWXJNKTNP-UHFFFAOYSA-N
Compound name
methyl 4-benzyl-5-oxomorpholine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

249.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 154.5
[M+Na]+ 272.089328 160.5
[M-H]- 248.092834 160.0
[M+NH4]+ 267.133933 168.6
[M+K]+ 288.063268 159.9
[M+H-H2O]+ 232.097370 146.3
[M+HCOO]- 294.098311 172.9
[M+CH3COO]- 308.113961 191.9
[M+Na-2H]- 270.074776 158.4
[M]+ 249.09956142 154.5
[M]- 249.10065858 154.5
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