CID 165726826

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl oxane-2-carboxylate

Structural Information

Molecular Formula
C14H13NO5
SMILES
C1CCOC(C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H13NO5/c16-12-9-5-1-2-6-10(9)13(17)15(12)20-14(18)11-7-3-4-8-19-11/h1-2,5-6,11H,3-4,7-8H2
InChIKey
ONANPOBWCGEYQM-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) oxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 157.9
[M+Na]+ 298.06860 164.7
[M-H]- 274.07210 164.5
[M+NH4]+ 293.11320 173.6
[M+K]+ 314.04254 163.5
[M+H-H2O]+ 258.07664 150.6
[M+HCOO]- 320.07758 175.4
[M+CH3COO]- 334.09323 195.6
[M+Na-2H]- 296.05405 160.2
[M]+ 275.07883 157.5
[M]- 275.07993 157.5
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.