CID 3019283

83763-47-7

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

COC1=C(C=C(C=C1)NCCO)N

InChI

InChI=1S/C9H14N2O2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3

InChIKey

SBUMIGFDXJIPLE-UHFFFAOYSA-N

Compound name

2-(3-amino-4-methoxyanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 9954
Patents: 182.10553 Da
Monoisotopic Mass: 0.5
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]+	183.11281	138.2
[M+Na]+	205.09475	145.2
[M-H]-	181.09825	140.4
[M+NH4]+	200.13935	157.0
[M+K]+	221.06869	143.0
[M+H-H2O]+	165.10279	132.1
[M+HCOO]-	227.10373	163.1
[M+CH3COO]-	241.11938	184.4
[M+Na-2H]-	203.08020	144.0
[M]+	182.10498	137.3
[M]-	182.10608	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe