CID 3056664

4-cyclohexene-1,2-dicarboximide, n-(3-morpholinopropyl)-, (z)-

Structural Information

Molecular Formula
C15H22N2O3
SMILES
C1COCCN1CCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI
InChI=1S/C15H22N2O3/c18-14-12-4-1-2-5-13(12)15(19)17(14)7-3-6-16-8-10-20-11-9-16/h1-2,12-13H,3-11H2/t12-,13+
InChIKey
IZNIUPLIUQUHBY-BETUJISGSA-N
Compound name
(3aR,7aS)-2-(3-morpholin-4-ylpropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 166.3
[M+Na]+ 301.15228 170.7
[M-H]- 277.15578 170.1
[M+NH4]+ 296.19688 180.5
[M+K]+ 317.12622 168.3
[M+H-H2O]+ 261.16032 157.6
[M+HCOO]- 323.16126 179.4
[M+CH3COO]- 337.17691 198.2
[M+Na-2H]- 299.13773 166.4
[M]+ 278.16251 162.2
[M]- 278.16361 162.2
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.