CID 110792

Ns00044009

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CCOC1C2=C(C(=NC=C2CO1)C)O

InChI

InChI=1S/C10H13NO3/c1-3-13-10-8-7(5-14-10)4-11-6(2)9(8)12/h4,10,12H,3,5H2,1-2H3

InChIKey

XLKAWBFBIIYKMX-UHFFFAOYSA-N

Compound name

1-ethoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 195.08954 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]+	196.096816	139.9
[M+Na]+	218.078758	149.6
[M-H]-	194.082264	143.0
[M+NH4]+	213.123363	159.6
[M+K]+	234.052698	148.5
[M+H-H2O]+	178.086800	134.3
[M+HCOO]-	240.087741	160.3
[M+CH3COO]-	254.103391	181.7
[M+Na-2H]-	216.064206	145.6
[M]+	195.08899142	143.1
[M]-	195.09008858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe