CID 205327

2-(butylamino)benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCCCNC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H15NO2/c1-2-3-8-12-10-7-5-4-6-9(10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)

InChIKey

DHBHUGJZAZYELM-UHFFFAOYSA-N

Compound name

2-(butylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 358
Patents: 193.11028 Da
Monoisotopic Mass: 3.0
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]+	194.11756	143.5
[M+Na]+	216.09950	154.3
[M+NH4]+	211.14410	150.9
[M+K]+	232.07344	148.4
[M-H]-	192.10300	145.1
[M+Na-2H]-	214.08495	149.1
[M]+	193.10973	145.2
[M]-	193.11083	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe