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]+ 279.170336 166.3
[M+Na]+ 301.152278 170.7
[M-H]- 277.155784 170.1
[M+NH4]+ 296.196883 180.5
[M+K]+ 317.126218 168.3
[M+H-H2O]+ 261.160320 157.6
[M+HCOO]- 323.161261 179.4
[M+CH3COO]- 337.176911 198.2
[M+Na-2H]- 299.137726 166.4
[M]+ 278.16251142 162.2
[M]- 278.16360858 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.