CID 2292

Bamethan

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCCCNCC(C1=CC=C(C=C1)O)O

InChI

InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3

InChIKey

RDUHXGIIUDVSHR-UHFFFAOYSA-N

Compound name

4-[2-(butylamino)-1-hydroxyethyl]phenol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 55
References: 4600
Patents: 209.14159 Da
Monoisotopic Mass: 0.6
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]+	210.14887	149.2
[M+Na]+	232.13081	154.2
[M-H]-	208.13431	149.7
[M+NH4]+	227.17541	166.5
[M+K]+	248.10475	151.2
[M+H-H2O]+	192.13885	143.1
[M+HCOO]-	254.13979	170.2
[M+CH3COO]-	268.15544	186.1
[M+Na-2H]-	230.11626	153.1
[M]+	209.14104	148.3
[M]-	209.14214	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe