CID 303532

Nsc191944

Structural Information

Molecular Formula
C13H14N2O5
SMILES
C1CC2C3C(C1O2)C(=O)N(C3=O)C4CCC(=O)NC4=O
InChI
InChI=1S/C13H14N2O5/c16-8-4-1-5(11(17)14-8)15-12(18)9-6-2-3-7(20-6)10(9)13(15)19/h5-7,9-10H,1-4H2,(H,14,16,17)
InChIKey
HEGYGRPHQUGLAX-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.09027 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09755 160.8
[M+Na]+ 301.07949 168.7
[M-H]- 277.08299 164.8
[M+NH4]+ 296.12409 180.0
[M+K]+ 317.05343 166.0
[M+H-H2O]+ 261.08753 157.0
[M+HCOO]- 323.08847 173.5
[M+CH3COO]- 337.10412 171.8
[M+Na-2H]- 299.06494 157.6
[M]+ 278.08972 158.3
[M]- 278.09082 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.