CID 138969221

1,3-dioxoisoindolin-2-yl tetrahydro-2h-pyran-4-carboxylate

Structural Information

Molecular Formula
C14H13NO5
SMILES
C1COCCC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H13NO5/c16-12-10-3-1-2-4-11(10)13(17)15(12)20-14(18)9-5-7-19-8-6-9/h1-4,9H,5-8H2
InChIKey
FTGYBPULEYLIGZ-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) oxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

275.07938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 159.6
[M+Na]+ 298.06860 170.4
[M+NH4]+ 293.11320 166.2
[M+K]+ 314.04254 167.7
[M-H]- 274.07210 162.3
[M+Na-2H]- 296.05405 162.7
[M]+ 275.07883 161.5
[M]- 275.07993 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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