CID 546358

N-(3-methoxyphenyl)pivalamide

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-12(2,3)11(14)13-9-6-5-7-10(8-9)15-4/h5-8H,1-4H3,(H,13,14)

InChIKey

DAFHCFQPQMYDFI-UHFFFAOYSA-N

Compound name

N-(3-methoxyphenyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 210
Patents: 207.12593 Da
Monoisotopic Mass: 2.7
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]+	208.133206	147.1
[M+Na]+	230.115148	153.9
[M-H]-	206.118654	150.9
[M+NH4]+	225.159753	166.1
[M+K]+	246.089088	152.6
[M+H-H2O]+	190.123190	141.3
[M+HCOO]-	252.124131	169.8
[M+CH3COO]-	266.139781	189.4
[M+Na-2H]-	228.100596	152.8
[M]+	207.12538142	148.6
[M]-	207.12647858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe