CID 76956772

Ranimycin

Structural Information

Molecular Formula

C₁₂H₁₈O₆

SMILES

CC(C)CC(=O)O[C@H]1[C@@H]([C@H]([C@H](C=C1C=O)O)O)O

InChI

InChI=1S/C12H18O6/c1-6(2)3-9(15)18-12-7(5-13)4-8(14)10(16)11(12)17/h4-6,8,10-12,14,16-17H,3H2,1-2H3/t8-,10-,11+,12+/m0/s1

InChIKey

HEWICEWYFOOYNG-OHBODLIOSA-N

Compound name

[(1R,4S,5S,6R)-2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl] 3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 708
Patents: 258.11035 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.117626	155.3
[M+Na]+	281.099568	161.4
[M-H]-	257.103074	154.9
[M+NH4]+	276.144173	170.5
[M+K]+	297.073508	160.0
[M+H-H2O]+	241.107610	150.2
[M+HCOO]-	303.108551	171.0
[M+CH3COO]-	317.124201	190.7
[M+Na-2H]-	279.085016	153.7
[M]+	258.10980142	155.4
[M]-	258.11089858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe