CID 71100710

Chebi:231777

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CNCCC1=CC(=C(C(=C1)OC)O)OC

InChI

InChI=1S/C11H17NO3/c1-12-5-4-8-6-9(14-2)11(13)10(7-8)15-3/h6-7,12-13H,4-5H2,1-3H3

InChIKey

CQRXQNMRCIMDPZ-UHFFFAOYSA-N

Compound name

2,6-dimethoxy-4-[2-(methylamino)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.12085 Da
Monoisotopic Mass: 1.5
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	153.8
[M-H]-	210.11357	148.8
[M+NH4]+	229.15467	164.5
[M+K]+	250.08401	152.2
[M+H-H2O]+	194.11811	139.9
[M+HCOO]-	256.11905	170.0
[M+CH3COO]-	270.13470	189.3
[M+Na-2H]-	232.09552	150.8
[M]+	211.12030	149.5
[M]-	211.12140	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe