CID 138969221

1872262-74-2

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

22
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 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

literature stripe

Patent stripe

patents stripe