CID 521855

58780-82-8

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CNCC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3

InChIKey

LFULMNRPABTDDQ-UHFFFAOYSA-N

Compound name

N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 211.12085 Da
Monoisotopic Mass: 0.8
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]+	212.12813	146.0
[M+Na]+	234.11007	158.0
[M+NH4]+	229.15467	153.7
[M+K]+	250.08401	152.0
[M-H]-	210.11357	148.2
[M+Na-2H]-	232.09552	151.9
[M]+	211.12030	148.2
[M]-	211.12140	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe