CID 3503917

4-amino-n-(sec-butyl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

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

InChI

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

InChIKey

RTELBMMPQVGHFB-UHFFFAOYSA-N

Compound name

4-amino-N-butan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 192.12627 Da
Monoisotopic Mass: 1.8
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	154.7
[M+NH4]+	210.16009	152.3
[M+K]+	231.08943	149.4
[M-H]-	191.11899	147.2
[M+Na-2H]-	213.10094	150.3
[M]+	192.12572	146.6
[M]-	192.12682	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe