CID 18354411

Benzyl 2-acetylmorpholine-4-carboxylate

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(=O)C1CN(CCO1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c1-11(16)13-9-15(7-8-18-13)14(17)19-10-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKey
GWWOZOYYIYINFX-UHFFFAOYSA-N
Compound name
benzyl 2-acetylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

263.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 159.5
[M+Na]+ 286.104968 164.0
[M-H]- 262.108474 164.6
[M+NH4]+ 281.149573 172.8
[M+K]+ 302.078908 163.6
[M+H-H2O]+ 246.113010 151.1
[M+HCOO]- 308.113951 176.6
[M+CH3COO]- 322.129601 193.9
[M+Na-2H]- 284.090416 162.4
[M]+ 263.11520142 158.8
[M]- 263.11629858 158.8
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