CID 1726561

29378-16-3

Structural Information

Molecular Formula
C15H15NO6
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)CCCCCC(=O)O
InChI
InChI=1S/C15H15NO6/c17-12(18)4-2-1-3-7-16-13(19)10-6-5-9(15(21)22)8-11(10)14(16)20/h5-6,8H,1-4,7H2,(H,17,18)(H,21,22)
InChIKey
WXAXXAMDSKKHPY-UHFFFAOYSA-N
Compound name
2-(5-carboxypentyl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

305.08994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09722 165.9
[M+Na]+ 328.07916 173.5
[M-H]- 304.08266 166.6
[M+NH4]+ 323.12376 180.9
[M+K]+ 344.05310 170.2
[M+H-H2O]+ 288.08720 159.9
[M+HCOO]- 350.08814 183.1
[M+CH3COO]- 364.10379 200.9
[M+Na-2H]- 326.06461 165.3
[M]+ 305.08939 169.0
[M]- 305.09049 169.0
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