CID 3059033

76059-11-5

Structural Information

Molecular Formula
C15H13NO4
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C15H13NO4/c1-15(10-6-7-11(17)16-14(10)20)12(18)8-4-2-3-5-9(8)13(15)19/h2-5,10H,6-7H2,1H3,(H,16,17,20)
InChIKey
QJBBPYKMCVMMTC-UHFFFAOYSA-N
Compound name
3-(2-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

271.08447 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.091746 158.2
[M+Na]+ 294.073688 167.6
[M-H]- 270.077194 163.6
[M+NH4]+ 289.118293 177.5
[M+K]+ 310.047628 162.8
[M+H-H2O]+ 254.081730 152.1
[M+HCOO]- 316.082671 175.7
[M+CH3COO]- 330.098321 194.9
[M+Na-2H]- 292.059136 159.9
[M]+ 271.08392142 155.5
[M]- 271.08501858 155.5
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