CID 14633003

3-hydroxy-1,10-bisaboladien-9-one

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC(CC(=O)C=C(C)C)C1CCC(C=C1)(C)O

InChI

InChI=1S/C15H24O2/c1-11(2)9-14(16)10-12(3)13-5-7-15(4,17)8-6-13/h5,7,9,12-13,17H,6,8,10H2,1-4H3

InChIKey

OZDOAMOSJAOPRV-UHFFFAOYSA-N

Compound name

6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-en-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 236.17763 Da
Monoisotopic Mass: 2.9
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]+	237.18491	158.0
[M+Na]+	259.16685	162.2
[M-H]-	235.17035	159.4
[M+NH4]+	254.21145	177.0
[M+K]+	275.14079	160.0
[M+H-H2O]+	219.17489	153.3
[M+HCOO]-	281.17583	174.0
[M+CH3COO]-	295.19148	192.5
[M+Na-2H]-	257.15230	157.4
[M]+	236.17708	155.6
[M]-	236.17818	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe