CID 3078875

1-butanone, 1-(4-amino-3-hydroxyphenyl)-

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

InChI=1S/C10H13NO2/c1-2-3-9(12)7-4-5-8(11)10(13)6-7/h4-6,13H,2-3,11H2,1H3

InChIKey

NLAPTLUVVJSIHL-UHFFFAOYSA-N

Compound name

1-(4-amino-3-hydroxyphenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 179.09464 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]+	180.10192	138.8
[M+Na]+	202.08386	149.9
[M+NH4]+	197.12846	146.3
[M+K]+	218.05780	144.7
[M-H]-	178.08736	140.3
[M+Na-2H]-	200.06931	144.0
[M]+	179.09409	140.5
[M]-	179.09519	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe