CID 92225

2301-52-2

Structural Information

Molecular Formula
C13H11NO6
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC(=O)O)C(=O)O
InChI
InChI=1S/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)
InChIKey
FEFFSKLJNYRHQN-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

499
Patents

277.05862 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06590 157.1
[M+Na]+ 300.04784 164.4
[M-H]- 276.05134 157.9
[M+NH4]+ 295.09244 172.9
[M+K]+ 316.02178 162.1
[M+H-H2O]+ 260.05588 151.3
[M+HCOO]- 322.05682 174.0
[M+CH3COO]- 336.07247 194.6
[M+Na-2H]- 298.03329 157.0
[M]+ 277.05807 158.5
[M]- 277.05917 158.5
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