CID 99858

19246-22-1

Structural Information

Molecular Formula
C13H16N2O4
SMILES
C1CCC2C(C1)C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C13H16N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h7-9H,1-6H2,(H,14,16,17)
InChIKey
IWKLKPPKVNKYPD-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

264.111 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 161.4
[M+Na]+ 287.10022 169.9
[M+NH4]+ 282.14482 167.3
[M+K]+ 303.07416 167.3
[M-H]- 263.10372 161.4
[M+Na-2H]- 285.08567 161.6
[M]+ 264.11045 161.9
[M]- 264.11155 161.9
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