CID 13543372

(s)-4-benzyl-5-oxomorpholine-3-carboxylic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1[C@H](N(C(=O)CO1)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H13NO4/c14-11-8-17-7-10(12(15)16)13(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1
InChIKey
LAHROJZLGLNLBT-JTQLQIEISA-N
Compound name
(3S)-4-benzyl-5-oxomorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

235.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.2
[M+Na]+ 258.07368 163.0
[M+NH4]+ 253.11828 157.7
[M+K]+ 274.04762 158.3
[M-H]- 234.07718 154.2
[M+Na-2H]- 256.05913 156.4
[M]+ 235.08391 153.4
[M]- 235.08501 153.4
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