CID 30688

N-(3-hydroxyphenyl)butanamide

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCCC(=O)NC1=CC(=CC=C1)O

InChI

InChI=1S/C10H13NO2/c1-2-4-10(13)11-8-5-3-6-9(12)7-8/h3,5-7,12H,2,4H2,1H3,(H,11,13)

InChIKey

FMRBYRAQTPTELH-UHFFFAOYSA-N

Compound name

N-(3-hydroxyphenyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 179.09464 Da
Monoisotopic Mass: 1.6
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	139.1
[M+Na]+	202.08386	150.2
[M+NH4]+	197.12846	146.8
[M+K]+	218.05780	144.5
[M-H]-	178.08736	140.8
[M+Na-2H]-	200.06931	145.1
[M]+	179.09409	140.9
[M]-	179.09519	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe