CID 21820299

27295-88-1

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1(CNC(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C11H13NO/c1-11(2)7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3,(H,12,13)

InChIKey

GZNOQHOEQNQFAB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 175.09972 Da
Monoisotopic Mass: 2.1
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]+	176.106996	137.1
[M+Na]+	198.088938	145.8
[M-H]-	174.092444	139.1
[M+NH4]+	193.133543	158.7
[M+K]+	214.062878	142.2
[M+H-H2O]+	158.096980	131.3
[M+HCOO]-	220.097921	155.6
[M+CH3COO]-	234.113571	178.4
[M+Na-2H]-	196.074386	144.7
[M]+	175.09917142	134.1
[M]-	175.10026858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe