CID 86324766

1439373-47-3

Structural Information

Molecular Formula
C13H15NO5
SMILES
C1CO[C@@H](CN1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO5/c15-12(16)11-8-14(6-7-18-11)13(17)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/t11-/m0/s1
InChIKey
AVQCLRKABAZVMZ-NSHDSACASA-N
Compound name
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 158.7
[M+Na]+ 288.08425 169.0
[M+NH4]+ 283.12885 164.3
[M+K]+ 304.05819 165.4
[M-H]- 264.08775 160.8
[M+Na-2H]- 286.06970 163.0
[M]+ 265.09448 160.3
[M]- 265.09558 160.3
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

No patent data available for this compound.