CID 254480

51971-46-1

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

7
Patents

259.08447 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 158.0
[M+Na]+ 282.07369 167.3
[M+NH4]+ 277.11829 166.1
[M+K]+ 298.04763 164.5
[M-H]- 258.07719 158.6
[M+Na-2H]- 280.05914 162.0
[M]+ 259.08392 159.2
[M]- 259.08502 159.2
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