CID 154719775

1,3-dioxoisoindolin-2-yl cyclobutanecarboxylate

Structural Information

Molecular Formula
C13H11NO4
SMILES
C1CC(C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H11NO4/c15-11-9-6-1-2-7-10(9)12(16)14(11)18-13(17)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKey
LHNCFRQUPDDSEO-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) cyclobutanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

245.0688 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 152.7
[M+Na]+ 268.05802 159.1
[M+NH4]+ 263.10262 155.7
[M+K]+ 284.03196 157.9
[M-H]- 244.06152 151.1
[M+Na-2H]- 266.04347 154.0
[M]+ 245.06825 151.6
[M]- 245.06935 151.6
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

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