CID 4582818

4-((benzyloxy)carbonyl)morpholine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15NO5
SMILES
C1COCC(N1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO5/c15-12(16)11-9-18-7-6-14(11)13(17)19-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKey
SUWIPBQDWSTEDN-UHFFFAOYSA-N
Compound name
4-phenylmethoxycarbonylmorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

265.09503 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 158.0
[M+Na]+ 288.08425 162.3
[M-H]- 264.08775 161.8
[M+NH4]+ 283.12885 170.4
[M+K]+ 304.05819 161.9
[M+H-H2O]+ 248.09229 149.8
[M+HCOO]- 310.09323 174.2
[M+CH3COO]- 324.10888 190.7
[M+Na-2H]- 286.06970 161.1
[M]+ 265.09448 156.5
[M]- 265.09558 156.5
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