CID 65721060

1567968-24-4

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CC(C)C1=CC2=C(C=C1)OCC[C@H]2O

InChI

InChI=1S/C12H16O2/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-4,7-8,11,13H,5-6H2,1-2H3/t11-/m1/s1

InChIKey

LZDOIOQHXGLFIJ-LLVKDONJSA-N

Compound name

(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.11504 Da
Monoisotopic Mass: 2.3
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]+	193.122316	141.5
[M+Na]+	215.104258	148.3
[M-H]-	191.107764	145.2
[M+NH4]+	210.148863	160.4
[M+K]+	231.078198	146.9
[M+H-H2O]+	175.112300	136.0
[M+HCOO]-	237.113241	159.1
[M+CH3COO]-	251.128891	183.1
[M+Na-2H]-	213.089706	147.3
[M]+	192.11449142	140.2
[M]-	192.11558858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.