CID 6441268

2,6-piperidinedione, 4-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)-, (3s-trans)-

Structural Information

Molecular Formula
C15H21NO3
SMILES
C[C@H]1C[C@@H](C(=O)/C(=C/CC2CC(=O)NC(=O)C2)/C1)C
InChI
InChI=1S/C15H21NO3/c1-9-5-10(2)15(19)12(6-9)4-3-11-7-13(17)16-14(18)8-11/h4,9-11H,3,5-8H2,1-2H3,(H,16,17,18)/b12-4+/t9-,10-/m0/s1
InChIKey
KWDFWSRTWRWCPS-JNCFRARESA-N
Compound name
4-[(2E)-2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

263.15213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.2
[M+Na]+ 286.141348 167.5
[M-H]- 262.144854 165.2
[M+NH4]+ 281.185953 177.0
[M+K]+ 302.115288 163.0
[M+H-H2O]+ 246.149390 155.1
[M+HCOO]- 308.150331 176.0
[M+CH3COO]- 322.165981 195.8
[M+Na-2H]- 284.126796 160.0
[M]+ 263.15158142 155.2
[M]- 263.15267858 155.2
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

patents stripe