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

88
Patents

271.08447 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 158.2
[M+Na]+ 294.07369 167.6
[M-H]- 270.07719 163.6
[M+NH4]+ 289.11829 177.5
[M+K]+ 310.04763 162.8
[M+H-H2O]+ 254.08173 152.1
[M+HCOO]- 316.08267 175.7
[M+CH3COO]- 330.09832 194.9
[M+Na-2H]- 292.05914 159.9
[M]+ 271.08392 155.5
[M]- 271.08502 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