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]+ 281.185956 168.0
[M+Na]+ 303.167898 171.4
[M-H]- 279.171404 171.3
[M+NH4]+ 298.212503 182.0
[M+K]+ 319.141838 169.1
[M+H-H2O]+ 263.175940 159.3
[M+HCOO]- 325.176881 179.6
[M+CH3COO]- 339.192531 198.7
[M+Na-2H]- 301.153346 167.1
[M]+ 280.17813142 162.4
[M]- 280.17922858 162.4
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.