CID 3056385

Brn 0031513

Structural Information

Molecular Formula
C15H24N2O3
SMILES
C1CCC2C(C1)C(=O)N(C2=O)CCCN3CCOCC3
InChI
InChI=1S/C15H24N2O3/c18-14-12-4-1-2-5-13(12)15(19)17(14)7-3-6-16-8-10-20-11-9-16/h12-13H,1-11H2
InChIKey
CVNVHMYFNAHZON-UHFFFAOYSA-N
Compound name
2-(3-morpholin-4-ylpropyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17868 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 168.8
[M+Na]+ 303.16790 177.7
[M+NH4]+ 298.21250 175.8
[M+K]+ 319.14184 173.7
[M-H]- 279.17140 171.5
[M+Na-2H]- 301.15335 169.6
[M]+ 280.17813 170.4
[M]- 280.17923 170.4
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.