CID 3798323

3-amino-3-(1,3-dioxaindan-5-yl)propan-1-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

C1OC2=C(O1)C=C(C=C2)C(CCO)N

InChI

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

InChIKey

LRXZDIRVMLNWST-UHFFFAOYSA-N

Compound name

3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	141.5
[M+Na]+	218.078758	148.2
[M-H]-	194.082264	145.4
[M+NH4]+	213.123363	159.8
[M+K]+	234.052698	148.1
[M+H-H2O]+	178.086800	136.2
[M+HCOO]-	240.087741	161.5
[M+CH3COO]-	254.103391	182.1
[M+Na-2H]-	216.064206	147.6
[M]+	195.08899142	141.6
[M]-	195.09008858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe