CID 377751

Nsc659342

Structural Information

Molecular Formula

C₁₁H₁₀O

SMILES

C=C1CCC2=CC=CC=C2C1=O

InChI

InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5H,1,6-7H2

InChIKey

VKRKOOOBSIIARV-UHFFFAOYSA-N

Compound name

2-methylidene-3,4-dihydronaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 80
Patents: 158.07317 Da
Monoisotopic Mass: 2.6
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]+	159.08045	129.5
[M+Na]+	181.06239	138.0
[M-H]-	157.06589	134.2
[M+NH4]+	176.10699	151.8
[M+K]+	197.03633	134.6
[M+H-H2O]+	141.07043	124.2
[M+HCOO]-	203.07137	151.2
[M+CH3COO]-	217.08702	178.0
[M+Na-2H]-	179.04784	136.8
[M]+	158.07262	126.9
[M]-	158.07372	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe