CID 14097

1075-30-5

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

CC(=O)C1CC2=CC=CC=C12

InChI

InChI=1S/C10H10O/c1-7(11)10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3

InChIKey

HRBWEKNHUNICAM-UHFFFAOYSA-N

Compound name

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 146.07317 Da
Monoisotopic Mass: 1.2
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]+	147.08045	125.8
[M+Na]+	169.06239	133.4
[M-H]-	145.06589	130.7
[M+NH4]+	164.10699	142.0
[M+K]+	185.03633	134.5
[M+H-H2O]+	129.07043	115.9
[M+HCOO]-	191.07137	147.6
[M+CH3COO]-	205.08702	180.6
[M+Na-2H]-	167.04784	133.1
[M]+	146.07262	135.1
[M]-	146.07372	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe