CID 7011

2-phenylbutyramide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)

InChIKey

UNFGQCCHVMMMRF-UHFFFAOYSA-N

Compound name

2-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1439
Patents: 163.09972 Da
Monoisotopic Mass: 1.7
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	136.1
[M+Na]+	186.08894	142.0
[M-H]-	162.09244	139.1
[M+NH4]+	181.13354	156.0
[M+K]+	202.06288	140.3
[M+H-H2O]+	146.09698	130.1
[M+HCOO]-	208.09792	159.2
[M+CH3COO]-	222.11357	181.3
[M+Na-2H]-	184.07439	140.5
[M]+	163.09917	134.1
[M]-	163.10027	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe