CID 10511175

19194-52-6

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1(C2=CC=CC=C2C(=O)N1)C

InChI

InChI=1S/C10H11NO/c1-10(2)8-6-4-3-5-7(8)9(12)11-10/h3-6H,1-2H3,(H,11,12)

InChIKey

FPFPRYFTNAYPPR-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 161.08406 Da
Monoisotopic Mass: 1.4
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	133.6
[M+Na]+	184.07328	146.2
[M+NH4]+	179.11788	144.2
[M+K]+	200.04722	139.5
[M-H]-	160.07678	135.1
[M+Na-2H]-	182.05873	140.3
[M]+	161.08351	135.9
[M]-	161.08461	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe