CID 325147

Ns00094851

Structural Information

Molecular Formula

C₁₅H₁₈O₃

SMILES

CC1=CC2C(CCC(=C)C(=O)CC1)C(=C)C(=O)O2

InChI

InChI=1S/C15H18O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12,14H,2-7H2,1H3

InChIKey

DINAUSDUEQEZGW-UHFFFAOYSA-N

Compound name

10-methyl-3,6-dimethylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.1256 Da
Monoisotopic Mass: 1.4
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]+	247.132876	150.5
[M+Na]+	269.114818	158.8
[M-H]-	245.118324	153.3
[M+NH4]+	264.159423	167.6
[M+K]+	285.088758	156.7
[M+H-H2O]+	229.122860	149.5
[M+HCOO]-	291.123801	168.1
[M+CH3COO]-	305.139451	191.0
[M+Na-2H]-	267.100266	150.2
[M]+	246.12505142	146.1
[M]-	246.12614858	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.