CID 10679431

28226-20-2

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC1=CC(=C(C=C1)OC)NCCO

InChI

InChI=1S/C10H15NO3/c1-13-8-3-4-10(14-2)9(7-8)11-5-6-12/h3-4,7,11-12H,5-6H2,1-2H3

InChIKey

HXVDGJWIQNKTFN-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxyanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 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]+	198.11248	141.6
[M+Na]+	220.09442	149.0
[M-H]-	196.09792	144.2
[M+NH4]+	215.13902	160.4
[M+K]+	236.06836	147.5
[M+H-H2O]+	180.10246	135.5
[M+HCOO]-	242.10340	166.0
[M+CH3COO]-	256.11905	185.0
[M+Na-2H]-	218.07987	147.7
[M]+	197.10465	144.3
[M]-	197.10575	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe