CID 30688

21556-79-6

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: 30
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	138.5
[M+Na]+	202.08386	145.2
[M-H]-	178.08736	140.9
[M+NH4]+	197.12846	157.8
[M+K]+	218.05780	143.0
[M+H-H2O]+	162.09190	132.7
[M+HCOO]-	224.09284	162.0
[M+CH3COO]-	238.10849	181.0
[M+Na-2H]-	200.06931	144.0
[M]+	179.09409	138.0
[M]-	179.09519	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe