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

6
Annotation Hits: 93
References: 1571
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	135.9
[M+Na]+	188.10459	142.7
[M-H]-	164.10809	139.7
[M+NH4]+	183.14919	156.5
[M+K]+	204.07853	141.6
[M+H-H2O]+	148.11263	130.0
[M+HCOO]-	210.11357	160.5
[M+CH3COO]-	224.12922	183.2
[M+Na-2H]-	186.09004	142.0
[M]+	165.11482	136.6
[M]-	165.11592	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe