CID 43260

Desglymidodrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC1=CC(=C(C=C1)OC)C(CN)O

InChI

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

InChIKey

VFRCNXKYZVQYLX-UHFFFAOYSA-N

Compound name

2-amino-1-(2,5-dimethoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 355
Patents: 197.1052 Da
Monoisotopic Mass: 0.1
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	142.8
[M+Na]+	220.09442	149.9
[M-H]-	196.09792	144.9
[M+NH4]+	215.13902	161.2
[M+K]+	236.06836	148.5
[M+H-H2O]+	180.10246	136.7
[M+HCOO]-	242.10340	165.5
[M+CH3COO]-	256.11905	185.3
[M+Na-2H]-	218.07987	146.4
[M]+	197.10465	143.8
[M]-	197.10575	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe