CID 3042971

Jpb 11

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC(=O)C1=CC(=C(C=C1)NC)O

InChI

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

InChIKey

GYGQWBBAWJBKRW-UHFFFAOYSA-N

Compound name

1-[3-hydroxy-4-(methylamino)phenyl]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	134.1
[M+Na]+	188.06820	145.8
[M+NH4]+	183.11280	142.0
[M+K]+	204.04214	140.6
[M-H]-	164.07170	135.9
[M+Na-2H]-	186.05365	140.1
[M]+	165.07843	136.1
[M]-	165.07953	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe