CID 209853

5-hydroxy-2-methyl-1-indanone

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC1CC2=C(C1=O)C=CC(=C2)O

InChI

InChI=1S/C10H10O2/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h2-3,5-6,11H,4H2,1H3

InChIKey

ZVQRABAEWVYJQV-UHFFFAOYSA-N

Compound name

5-hydroxy-2-methyl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 162.06808 Da
Monoisotopic Mass: 1.9
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]+	163.07536	130.9
[M+Na]+	185.05730	140.9
[M-H]-	161.06080	134.9
[M+NH4]+	180.10190	154.5
[M+K]+	201.03124	137.8
[M+H-H2O]+	145.06534	126.6
[M+HCOO]-	207.06628	153.5
[M+CH3COO]-	221.08193	176.0
[M+Na-2H]-	183.04275	135.9
[M]+	162.06753	130.8
[M]-	162.06863	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe