CID 68313

Hordenine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CN(C)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3

InChIKey

KUBCEEMXQZUPDQ-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 94
References: 1329
Patents: 165.11537 Da
Monoisotopic Mass: 2.1
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]+	166.12265	136.1
[M+Na]+	188.10459	148.2
[M+NH4]+	183.14919	145.0
[M+K]+	204.07853	141.8
[M-H]-	164.10809	139.1
[M+Na-2H]-	186.09004	143.3
[M]+	165.11482	138.6
[M]-	165.11592	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe