CID 59772053

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

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC1CC2=C(C1C)C=CC(=C2)O

InChI

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

InChIKey

ABWSMLAWUHYFPX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 162.10446 Da
Monoisotopic Mass: 3.0
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	133.5
[M+Na]+	185.09368	146.3
[M+NH4]+	180.13828	143.6
[M+K]+	201.06762	141.1
[M-H]-	161.09718	136.1
[M+Na-2H]-	183.07913	138.8
[M]+	162.10391	136.1
[M]-	162.10501	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe