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]+ 266.102306 158.0
[M+Na]+ 288.084248 162.3
[M-H]- 264.087754 161.8
[M+NH4]+ 283.128853 170.4
[M+K]+ 304.058188 161.9
[M+H-H2O]+ 248.092290 149.8
[M+HCOO]- 310.093231 174.2
[M+CH3COO]- 324.108881 190.7
[M+Na-2H]- 286.069696 161.1
[M]+ 265.09448142 156.5
[M]- 265.09557858 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

No patent data available for this compound.