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

20
Patents

263.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.5
[M+Na]+ 286.10497 164.0
[M-H]- 262.10847 164.6
[M+NH4]+ 281.14957 172.8
[M+K]+ 302.07891 163.6
[M+H-H2O]+ 246.11301 151.1
[M+HCOO]- 308.11395 176.6
[M+CH3COO]- 322.12960 193.9
[M+Na-2H]- 284.09042 162.4
[M]+ 263.11520 158.8
[M]- 263.11630 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