CID 2759475

63215-31-6

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

CC(C)OC1=CC2=C(C=C1)C(=O)CCC2

InChI

InChI=1S/C13H16O2/c1-9(2)15-11-6-7-12-10(8-11)4-3-5-13(12)14/h6-9H,3-5H2,1-2H3

InChIKey

PKEDWOXXOSCINP-UHFFFAOYSA-N

Compound name

6-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 204.11504 Da
Monoisotopic Mass: 2.8
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]+	205.122316	144.0
[M+Na]+	227.104258	150.9
[M-H]-	203.107764	148.2
[M+NH4]+	222.148863	164.3
[M+K]+	243.078198	148.6
[M+H-H2O]+	187.112300	138.0
[M+HCOO]-	249.113241	163.9
[M+CH3COO]-	263.128891	187.8
[M+Na-2H]-	225.089706	148.8
[M]+	204.11449142	143.5
[M]-	204.11558858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe