CID 16213224

(s)-(-)-n-boc-5-benzyl-2-oxomorpholine

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(=O)OC[C@@H]1CC2=CC=CC=C2
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-10-14(18)20-11-13(17)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey
NQZZZVQLJCFCGL-ZDUSSCGKSA-N
Compound name
tert-butyl (5S)-5-benzyl-2-oxomorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 167.9
[M+Na]+ 314.13628 173.3
[M-H]- 290.13978 173.3
[M+NH4]+ 309.18088 180.7
[M+K]+ 330.11022 172.5
[M+H-H2O]+ 274.14432 160.0
[M+HCOO]- 336.14526 183.8
[M+CH3COO]- 350.16091 200.0
[M+Na-2H]- 312.12173 171.3
[M]+ 291.14651 168.4
[M]- 291.14761 168.4
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

No patent data available for this compound.