CID 165460076

2770359-69-6

Structural Information

Molecular Formula
C15H12N2O6
SMILES
CC1(CCC(=O)NC1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)
InChIKey
VWVJRXADTDRXRW-UHFFFAOYSA-N
Compound name
2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06955 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.076826 166.7
[M+Na]+ 339.058768 175.9
[M-H]- 315.062274 169.7
[M+NH4]+ 334.103373 181.8
[M+K]+ 355.032708 171.8
[M+H-H2O]+ 299.066810 160.4
[M+HCOO]- 361.067751 180.7
[M+CH3COO]- 375.083401 201.8
[M+Na-2H]- 337.044216 166.7
[M]+ 316.06900142 164.8
[M]- 316.07009858 164.8
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

No patent data available for this compound.