CID 389211

2,3,4-trimethoxybenzylamine

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC1=C(C(=C(C=C1)CN)OC)OC

InChI

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

InChIKey

QWZMCOACPDTUIO-UHFFFAOYSA-N

Compound name

(2,3,4-trimethoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 197.1052 Da
Monoisotopic Mass: 0.6
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