CID 4066343

4384-99-0

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

C1COC2=C(O1)C=CC(=C2)C(CN)O

InChI

InChI=1S/C10H13NO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8,12H,3-4,6,11H2

InChIKey

PNXFUGHWZSOHMC-UHFFFAOYSA-N

Compound name

2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 195.08954 Da
Monoisotopic Mass: -0.2
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	141.3
[M+Na]+	218.078758	147.1
[M-H]-	194.082264	144.9
[M+NH4]+	213.123363	157.7
[M+K]+	234.052698	147.2
[M+H-H2O]+	178.086800	135.1
[M+HCOO]-	240.087741	159.2
[M+CH3COO]-	254.103391	182.7
[M+Na-2H]-	216.064206	148.8
[M]+	195.08899142	139.3
[M]-	195.09008858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe