CID 358944

109258-71-1

Structural Information

Molecular Formula
C14H13NO5
SMILES
COC(=O)CCC(=O)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H13NO5/c1-20-12(17)7-6-9(16)8-15-13(18)10-4-2-3-5-11(10)14(15)19/h2-5H,6-8H2,1H3
InChIKey
KFILPVALWMTVMP-UHFFFAOYSA-N
Compound name
methyl 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

275.07938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 158.5
[M+Na]+ 298.06860 166.9
[M-H]- 274.07210 161.9
[M+NH4]+ 293.11320 176.2
[M+K]+ 314.04254 164.8
[M+H-H2O]+ 258.07664 152.1
[M+HCOO]- 320.07758 179.1
[M+CH3COO]- 334.09323 198.4
[M+Na-2H]- 296.05405 159.8
[M]+ 275.07883 163.1
[M]- 275.07993 163.1
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