CID 70062

850-92-0

Structural Information

Molecular Formula

C₂₀H₂₄O₃

SMILES

CCC1(C(=O)CCC1=O)CC=C2CCCC3=C2C=CC(=C3)OC

InChI

InChI=1S/C20H24O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13H,3-6,9-10,12H2,1-2H3

InChIKey

OMXFYKCGCDGYNC-UHFFFAOYSA-N

Compound name

2-ethyl-2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 35
Patents: 312.17255 Da
Monoisotopic Mass: 3.4
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]+	313.179826	174.9
[M+Na]+	335.161768	181.6
[M-H]-	311.165274	181.8
[M+NH4]+	330.206373	194.5
[M+K]+	351.135708	176.5
[M+H-H2O]+	295.169810	168.3
[M+HCOO]-	357.170751	193.2
[M+CH3COO]-	371.186401	206.2
[M+Na-2H]-	333.147216	174.8
[M]+	312.17200142	173.8
[M]-	312.17309858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe