CID 6452328

P-nitrophenyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C11H10N2O5
SMILES
C1CC(=O)N[C@@H]1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O5/c14-10-6-5-9(12-10)11(15)18-8-3-1-7(2-4-8)13(16)17/h1-4,9H,5-6H2,(H,12,14)/t9-/m0/s1
InChIKey
LULJKDDAVJXNFS-VIFPVBQESA-N
Compound name
(4-nitrophenyl) (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.066256 151.9
[M+Na]+ 273.048198 157.3
[M-H]- 249.051704 156.0
[M+NH4]+ 268.092803 167.3
[M+K]+ 289.022138 151.0
[M+H-H2O]+ 233.056240 149.2
[M+HCOO]- 295.057181 173.4
[M+CH3COO]- 309.072831 181.6
[M+Na-2H]- 271.033646 156.0
[M]+ 250.05843142 147.9
[M]- 250.05952858 147.9
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

No patent data available for this compound.