CID 15262

1-methyltetraline

Structural Information

Molecular Formula

C₁₁H₁₄

SMILES

CC1CCCC2=CC=CC=C12

InChI

InChI=1S/C11H14/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-3,6,8-9H,4-5,7H2,1H3

InChIKey

APBBTKKLSNPFDP-UHFFFAOYSA-N

Compound name

1-methyl-1,2,3,4-tetrahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1819
Patents: 146.10954 Da
Monoisotopic Mass: 3.6
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]+	147.11682	129.3
[M+Na]+	169.09876	136.3
[M-H]-	145.10226	133.5
[M+NH4]+	164.14336	152.0
[M+K]+	185.07270	133.6
[M+H-H2O]+	129.10680	123.8
[M+HCOO]-	191.10774	150.4
[M+CH3COO]-	205.12339	143.0
[M+Na-2H]-	167.08421	137.2
[M]+	146.10899	126.2
[M]-	146.11009	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe