CID 20436

Isobutyranilide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC(C)C(=O)NC1=CC=CC=C1

InChI

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

InChIKey

WDRCPKDLZOQCFU-UHFFFAOYSA-N

Compound name

2-methyl-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1048
Patents: 163.09972 Da
Monoisotopic Mass: 1.9
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	136.2
[M+Na]+	186.08894	147.6
[M+NH4]+	181.13354	144.7
[M+K]+	202.06288	141.7
[M-H]-	162.09244	138.7
[M+Na-2H]-	184.07439	143.1
[M]+	163.09917	138.4
[M]-	163.10027	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe