CID 2756449

70977-71-8

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

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

InChI

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

InChIKey

UFIFDZMJARCOCP-UHFFFAOYSA-N

Compound name

1-(3-amino-2-hydroxy-5-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 165.07898 Da
Monoisotopic Mass: 1.5
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	134.0
[M+Na]+	188.06820	145.8
[M+NH4]+	183.11280	141.7
[M+K]+	204.04214	141.0
[M-H]-	164.07170	135.7
[M+Na-2H]-	186.05365	139.3
[M]+	165.07843	136.0
[M]-	165.07953	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe