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

17
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 146.8
[M+Na]+ 268.05802 153.7
[M-H]- 244.06152 153.2
[M+NH4]+ 263.10262 159.0
[M+K]+ 284.03196 154.5
[M+H-H2O]+ 228.06606 135.3
[M+HCOO]- 290.06700 166.5
[M+CH3COO]- 304.08265 194.5
[M+Na-2H]- 266.04347 149.2
[M]+ 245.06825 156.5
[M]- 245.06935 156.5
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