CID 45086277

83759-88-0

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=CC(=CC(=C1C(=O)C)C)N

InChI

InChI=1S/C10H13NO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,11H2,1-3H3

InChIKey

GFVYFAYTYSTBOM-UHFFFAOYSA-N

Compound name

1-(4-amino-2,6-dimethylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 163.09972 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]+	164.10700	133.9
[M+Na]+	186.08894	142.9
[M-H]-	162.09244	138.0
[M+NH4]+	181.13354	154.9
[M+K]+	202.06288	140.9
[M+H-H2O]+	146.09698	128.7
[M+HCOO]-	208.09792	158.0
[M+CH3COO]-	222.11357	184.0
[M+Na-2H]-	184.07439	137.5
[M]+	163.09917	133.7
[M]-	163.10027	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe