CID 81103

6625-74-7

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)

InChIKey

LWJNWXYSLBGWDU-UHFFFAOYSA-N

Compound name

2,2-dimethyl-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 828
Patents: 177.11537 Da
Monoisotopic Mass: 2.0
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]+	178.122646	139.7
[M+Na]+	200.104588	146.1
[M-H]-	176.108094	143.4
[M+NH4]+	195.149193	159.8
[M+K]+	216.078528	144.5
[M+H-H2O]+	160.112630	134.2
[M+HCOO]-	222.113571	162.6
[M+CH3COO]-	236.129221	183.1
[M+Na-2H]-	198.090036	146.6
[M]+	177.11482142	139.1
[M]-	177.11591858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe