CID 3084827

4-isopropoxy-1-naphthol

Structural Information

Molecular Formula

C₁₃H₁₄O₂

SMILES

CC(C)OC1=CC=C(C2=CC=CC=C21)O

InChI

InChI=1S/C13H14O2/c1-9(2)15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9,14H,1-2H3

InChIKey

WMVPFEQOLJSBDR-UHFFFAOYSA-N

Compound name

4-propan-2-yloxynaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 202.09938 Da
Monoisotopic Mass: 4.1
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]+	203.10666	143.0
[M+Na]+	225.08860	157.2
[M+NH4]+	220.13320	152.4
[M+K]+	241.06254	150.1
[M-H]-	201.09210	146.0
[M+Na-2H]-	223.07405	150.1
[M]+	202.09883	146.0
[M]-	202.09993	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe