CID 6479720

2,6-piperidinedione, 4-[(2r,5s,6z)-2-hydroxy-3,5,7-trimethyl-4-oxo-6,8-nonadienyl]-

Structural Information

Molecular Formula
C17H25NO4
SMILES
C[C@@H](/C=C(/C)\C=C)C(=O)C(C)[C@@H](CC1CC(=O)NC(=O)C1)O
InChI
InChI=1S/C17H25NO4/c1-5-10(2)6-11(3)17(22)12(4)14(19)7-13-8-15(20)18-16(21)9-13/h5-6,11-14,19H,1,7-9H2,2-4H3,(H,18,20,21)/b10-6-/t11-,12?,14+/m0/s1
InChIKey
DFKLNZHEIYSJOV-JKYLXODOSA-N
Compound name
4-[(2R,5S,6Z)-2-hydroxy-3,5,7-trimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.17834 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 173.3
[M+Na]+ 330.16756 175.5
[M-H]- 306.17106 171.3
[M+NH4]+ 325.21216 184.9
[M+K]+ 346.14150 172.3
[M+H-H2O]+ 290.17560 167.1
[M+HCOO]- 352.17654 183.5
[M+CH3COO]- 366.19219 204.6
[M+Na-2H]- 328.15301 166.6
[M]+ 307.17779 168.6
[M]- 307.17889 168.6
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

No patent data available for this compound.