CID 10583440

308110-07-8

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CN1CCC2=C(C1=O)C=CC(=C2)O

InChI

InChI=1S/C10H11NO2/c1-11-5-4-7-6-8(12)2-3-9(7)10(11)13/h2-3,6,12H,4-5H2,1H3

InChIKey

FDHLLTYAKGOFLY-UHFFFAOYSA-N

Compound name

6-hydroxy-2-methyl-3,4-dihydroisoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 177.07898 Da
Monoisotopic Mass: 1.1
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]+	178.086256	135.3
[M+Na]+	200.068198	144.4
[M-H]-	176.071704	137.5
[M+NH4]+	195.112803	155.0
[M+K]+	216.042138	141.3
[M+H-H2O]+	160.076240	129.3
[M+HCOO]-	222.077181	154.4
[M+CH3COO]-	236.092831	179.1
[M+Na-2H]-	198.053646	141.8
[M]+	177.07843142	133.6
[M]-	177.07952858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe