CID 10630812

20458-78-0

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CN1CC2=CC=CC=C2C(=O)C1

InChI

InChI=1S/C10H11NO/c1-11-6-8-4-2-3-5-9(8)10(12)7-11/h2-5H,6-7H2,1H3

InChIKey

SZNJHPIVJBDAIH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 161.08406 Da
Monoisotopic Mass: 1.3
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]+	162.09134	131.6
[M+Na]+	184.07328	140.2
[M-H]-	160.07678	134.8
[M+NH4]+	179.11788	152.4
[M+K]+	200.04722	137.5
[M+H-H2O]+	144.08132	125.3
[M+HCOO]-	206.08226	152.0
[M+CH3COO]-	220.09791	178.5
[M+Na-2H]-	182.05873	139.3
[M]+	161.08351	129.8
[M]-	161.08461	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe