CID 119989

4'-butyryl-3'-hydroxyacetanilide

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CCCC(=O)C1=C(C=C(C=C1)NC(=O)C)O

InChI

InChI=1S/C12H15NO3/c1-3-4-11(15)10-6-5-9(7-12(10)16)13-8(2)14/h5-7,16H,3-4H2,1-2H3,(H,13,14)

InChIKey

RSBIKRQPSYDRFZ-UHFFFAOYSA-N

Compound name

N-(4-butanoyl-3-hydroxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 221.1052 Da
Monoisotopic Mass: 1.8
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]+	222.112476	149.1
[M+Na]+	244.094418	155.8
[M-H]-	220.097924	151.6
[M+NH4]+	239.139023	166.7
[M+K]+	260.068358	153.7
[M+H-H2O]+	204.102460	143.1
[M+HCOO]-	266.103401	171.3
[M+CH3COO]-	280.119051	190.5
[M+Na-2H]-	242.079866	151.6
[M]+	221.10465142	149.8
[M]-	221.10574858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe