CID 2250967

[(2,4-dimethoxyphenyl)methyl](ethyl)amine

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CCNCC1=C(C=C(C=C1)OC)OC

InChI

InChI=1S/C11H17NO2/c1-4-12-8-9-5-6-10(13-2)7-11(9)14-3/h5-7,12H,4,8H2,1-3H3

InChIKey

ZHSIYZDPCFMJGZ-UHFFFAOYSA-N

Compound name

N-[(2,4-dimethoxyphenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 17
Patents: 195.12593 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]+	196.13321	143.1
[M+Na]+	218.11515	155.3
[M+NH4]+	213.15975	151.4
[M+K]+	234.08909	148.5
[M-H]-	194.11865	145.8
[M+Na-2H]-	216.10060	149.8
[M]+	195.12538	145.6
[M]-	195.12648	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe