CID 92225

Phthalyl-dl-glutamic acid

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

486
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 159.2
[M+Na]+ 300.04784 167.3
[M+NH4]+ 295.09244 163.2
[M+K]+ 316.02178 167.2
[M-H]- 276.05134 156.1
[M+Na-2H]- 298.03329 159.1
[M]+ 277.05807 158.8
[M]- 277.05917 158.8
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

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