CID 3022073

Brn 3338262

Structural Information

Molecular Formula

C₁₃H₁₉NO₃

SMILES

CCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C13H19NO3/c1-3-4-5-13(16)14-9-10-6-7-11(15)12(8-10)17-2/h6-8,15H,3-5,9H2,1-2H3,(H,14,16)

InChIKey

FIBVYIHLWQDQBL-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methyl]pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 237.13649 Da
Monoisotopic Mass: 2.0
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]+	238.14377	154.9
[M+Na]+	260.12571	161.1
[M-H]-	236.12921	157.1
[M+NH4]+	255.17031	172.0
[M+K]+	276.09965	158.8
[M+H-H2O]+	220.13375	148.4
[M+HCOO]-	282.13469	177.5
[M+CH3COO]-	296.15034	193.5
[M+Na-2H]-	258.11116	158.1
[M]+	237.13594	157.3
[M]-	237.13704	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe