CID 7051

N-butylacetanilide

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CCCCN(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3

InChIKey

ZWDZJRRQSXLOQR-UHFFFAOYSA-N

Compound name

N-butyl-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 1237
Patents: 191.13101 Da
Monoisotopic Mass: 2.5
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]+	192.13829	144.6
[M+Na]+	214.12023	150.1
[M-H]-	190.12373	149.2
[M+NH4]+	209.16483	164.4
[M+K]+	230.09417	149.2
[M+H-H2O]+	174.12827	137.9
[M+HCOO]-	236.12921	169.1
[M+CH3COO]-	250.14486	190.1
[M+Na-2H]-	212.10568	149.4
[M]+	191.13046	146.1
[M]-	191.13156	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe