CID 582264

6,7-dihydro-5h-benzocycloheptene

Structural Information

Molecular Formula

C₁₁H₁₂

SMILES

C1CC=CC2=CC=CC=C2C1

InChI

InChI=1S/C11H12/c1-2-6-10-8-4-5-9-11(10)7-3-1/h2,4-6,8-9H,1,3,7H2

InChIKey

DTRRHWQMEXXDFE-UHFFFAOYSA-N

Compound name

8,9-dihydro-7H-benzo[7]annulene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 572
Patents: 144.0939 Da
Monoisotopic Mass: 3.8
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]+	145.10118	126.8
[M+Na]+	167.08312	139.2
[M+NH4]+	162.12772	137.0
[M+K]+	183.05706	132.7
[M-H]-	143.08662	130.7
[M+Na-2H]-	165.06857	135.6
[M]+	144.09335	129.9
[M]-	144.09445	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe