CID 118999798

2,5-dioxopyrrolidin-1-yl 3-(benzyloxy)propanoate

Structural Information

Molecular Formula
C14H15NO5
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCC2=CC=CC=C2
InChI
InChI=1S/C14H15NO5/c16-12-6-7-13(17)15(12)20-14(18)8-9-19-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
NSJDNWOGFMFTKV-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09503 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.102306 160.2
[M+Na]+ 300.084248 166.6
[M-H]- 276.087754 165.3
[M+NH4]+ 295.128853 176.2
[M+K]+ 316.058188 164.8
[M+H-H2O]+ 260.092290 152.4
[M+HCOO]- 322.093231 181.8
[M+CH3COO]- 336.108881 195.6
[M+Na-2H]- 298.069696 161.5
[M]+ 277.09448142 162.8
[M]- 277.09557858 162.8
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.