CID 266815

6500-65-8

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

COC1=CC2=C(C=C1)C(=O)CCCC2

InChI

InChI=1S/C12H14O2/c1-14-10-6-7-11-9(8-10)4-2-3-5-12(11)13/h6-8H,2-5H2,1H3

InChIKey

WLRMIOGKWITDNU-UHFFFAOYSA-N

Compound name

2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 190.09938 Da
Monoisotopic Mass: 2.5
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]+	191.10666	137.5
[M+Na]+	213.08860	148.6
[M+NH4]+	208.13320	146.1
[M+K]+	229.06254	143.3
[M-H]-	189.09210	140.1
[M+Na-2H]-	211.07405	143.7
[M]+	190.09883	139.8
[M]-	190.09993	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe