CID 89313

3-methylindan-5-ol

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC1CCC2=C1C=C(C=C2)O

InChI

InChI=1S/C10H12O/c1-7-2-3-8-4-5-9(11)6-10(7)8/h4-7,11H,2-3H2,1H3

InChIKey

DGABSSAOKQLLFS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 148.08882 Da
Monoisotopic Mass: 2.7
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]+	149.096096	129.5
[M+Na]+	171.078038	138.4
[M-H]-	147.081544	133.1
[M+NH4]+	166.122643	153.5
[M+K]+	187.051978	135.3
[M+H-H2O]+	131.086080	125.0
[M+HCOO]-	193.087021	151.7
[M+CH3COO]-	207.102671	173.7
[M+Na-2H]-	169.063486	135.1
[M]+	148.08827142	128.2
[M]-	148.08936858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe