CID 21446637

N-caproyl tyramine

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCCCCC(=O)NCCC1=CC=C(C=C1)O

InChI

InChI=1S/C14H21NO2/c1-2-3-4-5-14(17)15-11-10-12-6-8-13(16)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,15,17)

InChIKey

OOAYUBIIDJANMN-UHFFFAOYSA-N

Compound name

N-[2-(4-hydroxyphenyl)ethyl]hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 235.15723 Da
Monoisotopic Mass: 3.1
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]+	236.164506	157.0
[M+Na]+	258.146448	161.9
[M-H]-	234.149954	158.6
[M+NH4]+	253.191053	173.9
[M+K]+	274.120388	158.7
[M+H-H2O]+	218.154490	150.2
[M+HCOO]-	280.155431	179.0
[M+CH3COO]-	294.171081	193.2
[M+Na-2H]-	256.131896	160.3
[M]+	235.15668142	157.9
[M]-	235.15777858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe