CID 199110

3706-30-7

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

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

InChI

InChI=1S/C12H19NO3/c1-9(13-16-4)7-10-5-6-11(14-2)12(8-10)15-3/h5-6,8-9,13H,7H2,1-4H3

InChIKey

SOROHLAURIYIBA-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-N-methoxypropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.13649 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]+	226.14377	150.9
[M+Na]+	248.12571	157.6
[M-H]-	224.12921	154.7
[M+NH4]+	243.17031	169.2
[M+K]+	264.09965	157.1
[M+H-H2O]+	208.13375	144.3
[M+HCOO]-	270.13469	175.2
[M+CH3COO]-	284.15034	194.5
[M+Na-2H]-	246.11116	155.2
[M]+	225.13594	155.7
[M]-	225.13704	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe