CID 85831140

2,2-dimethyl-2,3-dihydro-1h-inden-5-ol

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC1(CC2=C(C1)C=C(C=C2)O)C

InChI

InChI=1S/C11H14O/c1-11(2)6-8-3-4-10(12)5-9(8)7-11/h3-5,12H,6-7H2,1-2H3

InChIKey

ZHRUDNISMDMKJF-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1,3-dihydroinden-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.10446 Da
Monoisotopic Mass: 3.1
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]+	163.11174	134.0
[M+Na]+	185.09368	146.5
[M+NH4]+	180.13828	145.5
[M+K]+	201.06762	139.5
[M-H]-	161.09718	136.6
[M+Na-2H]-	183.07913	141.1
[M]+	162.10391	136.7
[M]-	162.10501	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe