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]+ 278.10231 160.2
[M+Na]+ 300.08425 166.6
[M-H]- 276.08775 165.3
[M+NH4]+ 295.12885 176.2
[M+K]+ 316.05819 164.8
[M+H-H2O]+ 260.09229 152.4
[M+HCOO]- 322.09323 181.8
[M+CH3COO]- 336.10888 195.6
[M+Na-2H]- 298.06970 161.5
[M]+ 277.09448 162.8
[M]- 277.09558 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.