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]+	163.111736	133.9
[M+Na]+	185.093678	143.4
[M-H]-	161.097184	137.8
[M+NH4]+	180.138283	159.5
[M+K]+	201.067618	140.2
[M+H-H2O]+	145.101720	129.9
[M+HCOO]-	207.102661	155.9
[M+CH3COO]-	221.118311	176.3
[M+Na-2H]-	183.079126	140.1
[M]+	162.10391142	133.3
[M]-	162.10500858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe