CID 21313226

60207-18-3

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC(=O)C1=C(C=C(C=C1)N)OC

InChI

InChI=1S/C9H11NO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,10H2,1-2H3

InChIKey

WSESDZHLGIIHPS-UHFFFAOYSA-N

Compound name

1-(4-amino-2-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 165.07898 Da
Monoisotopic Mass: 1.2
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]+	166.08626	133.1
[M+Na]+	188.06820	141.5
[M-H]-	164.07170	137.0
[M+NH4]+	183.11280	153.6
[M+K]+	204.04214	140.2
[M+H-H2O]+	148.07624	127.5
[M+HCOO]-	210.07718	157.8
[M+CH3COO]-	224.09283	181.8
[M+Na-2H]-	186.05365	137.9
[M]+	165.07843	133.6
[M]-	165.07953	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe