CID 77230305

681851-25-2

Structural Information

Molecular Formula
C13H15NO4
SMILES
C[C@@H]1[C@H](N(C(=O)CO1)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO4/c1-9-12(13(16)17)14(11(15)8-18-9)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,16,17)/t9-,12+/m1/s1
InChIKey
UWKSAFKXCAKKDJ-SKDRFNHKSA-N
Compound name
(2R,3S)-4-benzyl-2-methyl-5-oxomorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

249.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 155.4
[M+Na]+ 272.08933 167.3
[M+NH4]+ 267.13393 161.8
[M+K]+ 288.06327 162.7
[M-H]- 248.09283 158.4
[M+Na-2H]- 270.07478 160.1
[M]+ 249.09956 157.7
[M]- 249.10066 157.7
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