CID 2774307

30391-87-8

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CCC(C)NC(=O)C1=CC=CC=C1N

InChI

InChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14)

InChIKey

UOKULICTTSTSHO-UHFFFAOYSA-N

Compound name

2-amino-N-butan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 192.12627 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]+	193.13355	144.7
[M+Na]+	215.11549	150.3
[M-H]-	191.11899	147.9
[M+NH4]+	210.16009	163.5
[M+K]+	231.08943	148.4
[M+H-H2O]+	175.12353	138.3
[M+HCOO]-	237.12447	168.5
[M+CH3COO]-	251.14012	189.9
[M+Na-2H]-	213.10094	148.1
[M]+	192.12572	142.6
[M]-	192.12682	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe