CID 2752684

54881-56-0

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CCC2(C(C1)C3=CC=CC=C32)O

InChI

InChI=1S/C12H14O/c13-12-8-4-3-7-11(12)9-5-1-2-6-10(9)12/h1-2,5-6,11,13H,3-4,7-8H2

InChIKey

RINGNMPHLXPJRL-UHFFFAOYSA-N

Compound name

2,3,4,8b-tetrahydro-1H-biphenylen-4a-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.10446 Da
Monoisotopic Mass: 1.7
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]+	175.111736	134.1
[M+Na]+	197.093678	141.0
[M-H]-	173.097184	138.2
[M+NH4]+	192.138283	151.5
[M+K]+	213.067618	140.4
[M+H-H2O]+	157.101720	124.5
[M+HCOO]-	219.102661	151.8
[M+CH3COO]-	233.118311	146.8
[M+Na-2H]-	195.079126	143.1
[M]+	174.10391142	139.9
[M]-	174.10500858	139.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.