CID 263363

4-phenylbutyramide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)

InChIKey

LEPWUMPXISBPIB-UHFFFAOYSA-N

Compound name

4-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2857
Patents: 163.09972 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]+	164.10700	135.6
[M+Na]+	186.08894	141.8
[M-H]-	162.09244	138.5
[M+NH4]+	181.13354	155.6
[M+K]+	202.06288	139.6
[M+H-H2O]+	146.09698	129.5
[M+HCOO]-	208.09792	159.7
[M+CH3COO]-	222.11357	180.5
[M+Na-2H]-	184.07439	141.3
[M]+	163.09917	134.2
[M]-	163.10027	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe