CID 156221

71822-00-9

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

CC(C1=CC2=C(C=C1)OC(C=C2)(C)C)O

InChI

InChI=1S/C13H16O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-9,14H,1-3H3

InChIKey

ICIIMFRGWJJFIH-UHFFFAOYSA-N

Compound name

1-(2,2-dimethylchromen-6-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
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	144.4
[M+Na]+	227.104258	152.8
[M-H]-	203.107764	148.7
[M+NH4]+	222.148863	165.0
[M+K]+	243.078198	151.3
[M+H-H2O]+	187.112300	139.2
[M+HCOO]-	249.113241	163.2
[M+CH3COO]-	263.128891	185.3
[M+Na-2H]-	225.089706	151.7
[M]+	204.11449142	145.3
[M]-	204.11558858	145.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.