CID 14191393

Curcumanolide a

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC1CCC(C12CC(=C(C)C)C(=O)O2)C(=C)C

InChI

InChI=1S/C15H22O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h11,13H,3,6-8H2,1-2,4-5H3

InChIKey

KHOTZHZBHNDKOB-UHFFFAOYSA-N

Compound name

6-methyl-3-propan-2-ylidene-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 234.16199 Da
Monoisotopic Mass: 4.3
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]+	235.169266	156.4
[M+Na]+	257.151208	163.1
[M-H]-	233.154714	162.6
[M+NH4]+	252.195813	179.1
[M+K]+	273.125148	161.0
[M+H-H2O]+	217.159250	153.1
[M+HCOO]-	279.160191	174.1
[M+CH3COO]-	293.175841	192.7
[M+Na-2H]-	255.136656	153.8
[M]+	234.16144142	153.8
[M]-	234.16253858	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.