CID 10607734

(5s)-5-benzylmorpholin-3-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1[C@@H](NC(=O)CO1)CC2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c13-11-8-14-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1
InChIKey
PXPFDUZBGQDAEP-JTQLQIEISA-N
Compound name
(5S)-5-benzylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

191.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.1
[M+Na]+ 214.08386 146.8
[M-H]- 190.08736 145.0
[M+NH4]+ 209.12846 156.8
[M+K]+ 230.05780 144.6
[M+H-H2O]+ 174.09190 133.6
[M+HCOO]- 236.09284 159.1
[M+CH3COO]- 250.10849 178.4
[M+Na-2H]- 212.06931 147.4
[M]+ 191.09409 136.6
[M]- 191.09519 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe