CID 38266

Dihydromethylnaphthalene

Structural Information

Molecular Formula

C₁₁H₁₂

SMILES

CC1=CC2=CC=CC=C2CC1

InChI

InChI=1S/C11H12/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-5,8H,6-7H2,1H3

InChIKey

LJMXZKYACOOCMW-UHFFFAOYSA-N

Compound name

3-methyl-1,2-dihydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 144.0939 Da
Monoisotopic Mass: 2.9
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]+	145.101176	127.6
[M+Na]+	167.083118	135.6
[M-H]-	143.086624	132.2
[M+NH4]+	162.127723	150.4
[M+K]+	183.057058	132.7
[M+H-H2O]+	127.091160	122.1
[M+HCOO]-	189.092101	150.1
[M+CH3COO]-	203.107751	141.9
[M+Na-2H]-	165.068566	136.5
[M]+	144.09335142	125.9
[M]-	144.09444858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe