CID 16426

Butacetin

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

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

InChIKey

QTNZYVAMNRDUAD-UHFFFAOYSA-N

Compound name

N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3722
Patents: 207.12593 Da
Monoisotopic Mass: 2.4
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe