CID 35390

Butyramide, 2-ethyl-2-phenyl-

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CCC(CC)(C1=CC=CC=C1)C(=O)N

InChI

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

InChIKey

GRRCDRIBJQKMEW-UHFFFAOYSA-N

Compound name

2-ethyl-2-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 289
Patents: 191.13101 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]+	192.13829	144.6
[M+Na]+	214.12023	150.4
[M-H]-	190.12373	147.4
[M+NH4]+	209.16483	163.6
[M+K]+	230.09417	148.1
[M+H-H2O]+	174.12827	138.8
[M+HCOO]-	236.12921	166.4
[M+CH3COO]-	250.14486	186.8
[M+Na-2H]-	212.10568	149.8
[M]+	191.13046	143.4
[M]-	191.13156	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe