CID 69866

Tetralin hydroperoxide

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1CC(C2=CC=CC=C2C1)OO

InChI

InChI=1S/C10H12O2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2

InChIKey

YWBMNCRJFZGXJY-UHFFFAOYSA-N

Compound name

1-hydroperoxy-1,2,3,4-tetrahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2532
Patents: 164.08372 Da
Monoisotopic Mass: 1.9
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]+	165.090996	131.9
[M+Na]+	187.072938	138.7
[M-H]-	163.076444	134.8
[M+NH4]+	182.117543	152.9
[M+K]+	203.046878	136.4
[M+H-H2O]+	147.080980	126.4
[M+HCOO]-	209.081921	152.2
[M+CH3COO]-	223.097571	175.0
[M+Na-2H]-	185.058386	139.8
[M]+	164.08317142	129.5
[M]-	164.08426858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe