CID 21224087

2-(2,3-dihydro-1h-inden-5-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C1CC2=C(C1)C=C(C=C2)CCO

InChI

InChI=1S/C11H14O/c12-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8,12H,1-3,6-7H2

InChIKey

LKFBPUOGEAPFGQ-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1H-inden-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 162.10446 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]+	163.11174	134.5
[M+Na]+	185.09368	146.6
[M+NH4]+	180.13828	144.6
[M+K]+	201.06762	141.0
[M-H]-	161.09718	137.0
[M+Na-2H]-	183.07913	140.3
[M]+	162.10391	136.9
[M]-	162.10501	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe