CID 202631

13062-99-2

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CNCCC1=C(C=C(C=C1)OC)OC

InChI

InChI=1S/C11H17NO2/c1-12-7-6-9-4-5-10(13-2)8-11(9)14-3/h4-5,8,12H,6-7H2,1-3H3

InChIKey

WEDBJHQKLMPQQT-UHFFFAOYSA-N

Compound name

2-(2,4-dimethoxyphenyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 195.12593 Da
Monoisotopic Mass: 1.8
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]+	196.133206	142.8
[M+Na]+	218.115148	150.3
[M-H]-	194.118654	146.7
[M+NH4]+	213.159753	162.5
[M+K]+	234.089088	148.9
[M+H-H2O]+	178.123190	136.5
[M+HCOO]-	240.124131	168.2
[M+CH3COO]-	254.139781	188.5
[M+Na-2H]-	216.100596	148.8
[M]+	195.12538142	146.4
[M]-	195.12647858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe