CID 114458

13078-73-4

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CC(CC1=C(C=CC(=C1)OC)OC)N(C)C

InChI

InChI=1S/C13H21NO2/c1-10(14(2)3)8-11-9-12(15-4)6-7-13(11)16-5/h6-7,9-10H,8H2,1-5H3

InChIKey

AZSJYUNXTSRXEI-UHFFFAOYSA-N

Compound name

1-(2,5-dimethoxyphenyl)-N,N-dimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 223.15723 Da
Monoisotopic Mass: 2.7
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	163.6
[M+NH4]+	241.19105	160.1
[M+K]+	262.12039	157.7
[M-H]-	222.14995	154.8
[M+Na-2H]-	244.13190	158.0
[M]+	223.15668	154.4
[M]-	223.15778	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe