CID 44350080

2c-p

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CCCC1=CC(=C(C=C1OC)CCN)OC

InChI

InChI=1S/C13H21NO2/c1-4-5-10-8-13(16-3)11(6-7-14)9-12(10)15-2/h8-9H,4-7,14H2,1-3H3

InChIKey

PZJOKFZGPTVNBF-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxy-4-propylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 226
Patents: 223.15723 Da
Monoisotopic Mass: 2.5
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]+	224.16451	152.0
[M+Na]+	246.14645	163.9
[M+NH4]+	241.19105	159.8
[M+K]+	262.12039	157.1
[M-H]-	222.14995	154.5
[M+Na-2H]-	244.13190	157.4
[M]+	223.15668	154.3
[M]-	223.15778	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe