CID 135298

69352-90-5

Structural Information

Molecular Formula
C13H14N2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3CC=CCC3C2=O
InChI
InChI=1S/C13H14N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-2,7-9H,3-6H2,(H,14,16,17)
InChIKey
UQQAXRSOQDEDNI-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

262.09537 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 158.3
[M+Na]+ 285.08459 165.4
[M-H]- 261.08809 161.4
[M+NH4]+ 280.12919 174.2
[M+K]+ 301.05853 161.1
[M+H-H2O]+ 245.09263 151.0
[M+HCOO]- 307.09357 172.1
[M+CH3COO]- 321.10922 193.1
[M+Na-2H]- 283.07004 157.5
[M]+ 262.09482 152.1
[M]- 262.09592 152.1
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