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]+ 276.086656 157.9
[M+Na]+ 298.068598 164.7
[M-H]- 274.072104 164.5
[M+NH4]+ 293.113203 173.6
[M+K]+ 314.042538 163.5
[M+H-H2O]+ 258.076640 150.6
[M+HCOO]- 320.077581 175.4
[M+CH3COO]- 334.093231 195.6
[M+Na-2H]- 296.054046 160.2
[M]+ 275.07883142 157.5
[M]- 275.07992858 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.