CID 254480

1-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1CCC(C1)(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H13NO4/c16-11-9-5-1-2-6-10(9)12(17)15(11)14(13(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,18,19)
InChIKey
FGGDAJNZNPBPGM-UHFFFAOYSA-N
Compound name
1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.08447 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 156.7
[M+Na]+ 282.073688 164.9
[M-H]- 258.077194 162.2
[M+NH4]+ 277.118293 177.7
[M+K]+ 298.047628 161.4
[M+H-H2O]+ 242.081730 151.2
[M+HCOO]- 304.082671 175.7
[M+CH3COO]- 318.098321 190.7
[M+Na-2H]- 280.059136 157.4
[M]+ 259.08392142 155.1
[M]- 259.08501858 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe