CID 202668

13078-71-2

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC(CN)C1=C(C=CC(=C1)OC)OC

InChI

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

InChIKey

MWCQGGZRKWDESA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.12593 Da
Monoisotopic Mass: 1.5
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]+	196.13321	143.5
[M+Na]+	218.11515	155.0
[M+NH4]+	213.15975	151.5
[M+K]+	234.08909	149.3
[M-H]-	194.11865	145.9
[M+Na-2H]-	216.10060	149.3
[M]+	195.12538	145.7
[M]-	195.12648	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe