CID 14715949

129973-01-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=CC(=C(C=C1)C(=O)CN)C

InChI

InChI=1S/C10H13NO/c1-7-3-4-9(8(2)5-7)10(12)6-11/h3-5H,6,11H2,1-2H3

InChIKey

HJFCPKPVNQXSCV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 163.09972 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]+	164.106996	134.6
[M+Na]+	186.088938	142.7
[M-H]-	162.092444	138.3
[M+NH4]+	181.133543	155.3
[M+K]+	202.062878	140.6
[M+H-H2O]+	146.096980	129.1
[M+HCOO]-	208.097921	158.7
[M+CH3COO]-	222.113571	182.8
[M+Na-2H]-	184.074386	138.9
[M]+	163.09917142	134.0
[M]-	163.10026858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe