CID 87736

3,4,5-trimethoxybenzylamine

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC1=CC(=CC(=C1OC)OC)CN

InChI

InChI=1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3

InChIKey

YUPUSBMJCFBHAP-UHFFFAOYSA-N

Compound name

(3,4,5-trimethoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1133
Patents: 197.1052 Da
Monoisotopic Mass: 0.3
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]+	198.11248	141.3
[M+Na]+	220.09442	150.1
[M-H]-	196.09792	145.2
[M+NH4]+	215.13902	160.9
[M+K]+	236.06836	149.2
[M+H-H2O]+	180.10246	135.3
[M+HCOO]-	242.10340	166.6
[M+CH3COO]-	256.11905	188.2
[M+Na-2H]-	218.07987	146.2
[M]+	197.10465	145.4
[M]-	197.10575	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe