CID 69983215

(3,4-dimethoxy-2-methylphenyl)methanamine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC1=C(C=CC(=C1OC)OC)CN

InChI

InChI=1S/C10H15NO2/c1-7-8(6-11)4-5-9(12-2)10(7)13-3/h4-5H,6,11H2,1-3H3

InChIKey

SPZUWMGYGQNTCZ-UHFFFAOYSA-N

Compound name

(3,4-dimethoxy-2-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.11028 Da
Monoisotopic Mass: 1.1
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]+	182.11756	138.4
[M+Na]+	204.09950	150.9
[M+NH4]+	199.14410	146.7
[M+K]+	220.07344	144.8
[M-H]-	180.10300	141.1
[M+Na-2H]-	202.08495	144.7
[M]+	181.10973	140.9
[M]-	181.11083	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe