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

38
Patents

249.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 154.5
[M+Na]+ 272.08933 160.5
[M-H]- 248.09283 160.0
[M+NH4]+ 267.13393 168.6
[M+K]+ 288.06327 159.9
[M+H-H2O]+ 232.09737 146.3
[M+HCOO]- 294.09831 172.9
[M+CH3COO]- 308.11396 191.9
[M+Na-2H]- 270.07478 158.4
[M]+ 249.09956 154.5
[M]- 249.10066 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