CID 10060720

2,5-dimethoxy-4-butylamphetamine

Structural Information

Molecular Formula

C₁₅H₂₅NO₂

SMILES

CCCCC1=CC(=C(C=C1OC)CC(C)N)OC

InChI

InChI=1S/C15H25NO2/c1-5-6-7-12-9-15(18-4)13(8-11(2)16)10-14(12)17-3/h9-11H,5-8,16H2,1-4H3

InChIKey

NGVDYAULSQKEGW-UHFFFAOYSA-N

Compound name

1-(4-butyl-2,5-dimethoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 182
Patents: 251.18852 Da
Monoisotopic Mass: 3.9
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]+	252.195796	162.1
[M+Na]+	274.177738	168.5
[M-H]-	250.181244	165.1
[M+NH4]+	269.222343	179.5
[M+K]+	290.151678	166.4
[M+H-H2O]+	234.185780	155.4
[M+HCOO]-	296.186721	184.5
[M+CH3COO]-	310.202371	202.0
[M+Na-2H]-	272.163186	162.9
[M]+	251.18797142	165.8
[M]-	251.18906858	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe