CID 73396

Acetoxycycloheximide

Structural Information

Molecular Formula
C17H25NO6
SMILES
C[C@H]1C[C@@](C[C@H](C1=O)[C@@H](CC2CC(=O)NC(=O)C2)O)(C)OC(=O)C
InChI
InChI=1S/C17H25NO6/c1-9-7-17(3,24-10(2)19)8-12(16(9)23)13(20)4-11-5-14(21)18-15(22)6-11/h9,11-13,20H,4-8H2,1-3H3,(H,18,21,22)/t9-,12-,13+,17+/m0/s1
InChIKey
UFDHNJJHPSGMFX-SQUSCZTCSA-N
Compound name
[(1R,3S,5S)-3-[(1R)-2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

105
Patents

339.16818 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17546 176.6
[M+Na]+ 362.15740 180.6
[M-H]- 338.16090 178.2
[M+NH4]+ 357.20200 189.2
[M+K]+ 378.13134 178.5
[M+H-H2O]+ 322.16544 170.5
[M+HCOO]- 384.16638 186.8
[M+CH3COO]- 398.18203 207.8
[M+Na-2H]- 360.14285 172.8
[M]+ 339.16763 172.2
[M]- 339.16873 172.2
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.