CID 5005111

4-hydroxy-7-methyl-1-indanone

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC1=C2C(=C(C=C1)O)CCC2=O

InChI

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

InChIKey

LQCJCAYSGRFFCU-UHFFFAOYSA-N

Compound name

4-hydroxy-7-methyl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 162.06808 Da
Monoisotopic Mass: 1.7
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]+	163.07536	131.7
[M+Na]+	185.05730	144.2
[M+NH4]+	180.10190	141.0
[M+K]+	201.03124	139.7
[M-H]-	161.06080	133.6
[M+Na-2H]-	183.04275	136.7
[M]+	162.06753	133.9
[M]-	162.06863	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe