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

15
References

286
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

literature stripe

Patent stripe

patents stripe