CID 14481985

3,4,5-trimethoxy-n-methylaniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CNC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C10H15NO3/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3/h5-6,11H,1-4H3

InChIKey

XBSMHLZMLQNTLY-UHFFFAOYSA-N

Compound name

3,4,5-trimethoxy-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 197.1052 Da
Monoisotopic Mass: 1.4
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	140.7
[M+Na]+	220.09442	149.4
[M-H]-	196.09792	145.1
[M+NH4]+	215.13902	160.5
[M+K]+	236.06836	148.9
[M+H-H2O]+	180.10246	134.6
[M+HCOO]-	242.10340	166.6
[M+CH3COO]-	256.11905	188.8
[M+Na-2H]-	218.07987	146.6
[M]+	197.10465	145.7
[M]-	197.10575	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe