CID 138978589

1,3-dioxoisoindolin-2-yl cyclopentanecarboxylate

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1CCC(C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H13NO4/c16-12-10-7-3-4-8-11(10)13(17)15(12)19-14(18)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKey
ZLUFXIZISRCDHH-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

259.08447 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 156.8
[M+Na]+ 282.073688 164.4
[M-H]- 258.077194 163.3
[M+NH4]+ 277.118293 176.5
[M+K]+ 298.047628 161.8
[M+H-H2O]+ 242.081730 150.4
[M+HCOO]- 304.082671 177.2
[M+CH3COO]- 318.098321 192.9
[M+Na-2H]- 280.059136 156.6
[M]+ 259.08392142 156.6
[M]- 259.08501858 156.6
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

patents stripe