CID 76223488

2-amino-3-(1,3-dioxolan-2-yl)propan-1-ol

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C1COC(O1)CC(CO)N

InChI

InChI=1S/C6H13NO3/c7-5(4-8)3-6-9-1-2-10-6/h5-6,8H,1-4,7H2

InChIKey

WHNIIGYMYSUBCG-UHFFFAOYSA-N

Compound name

2-amino-3-(1,3-dioxolan-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08954 Da
Monoisotopic Mass: -1.3
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]+	148.096816	132.1
[M+Na]+	170.078758	136.8
[M-H]-	146.082264	134.4
[M+NH4]+	165.123363	150.8
[M+K]+	186.052698	138.5
[M+H-H2O]+	130.086800	126.7
[M+HCOO]-	192.087741	151.9
[M+CH3COO]-	206.103391	171.8
[M+Na-2H]-	168.064206	136.9
[M]+	147.08899142	129.8
[M]-	147.09008858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.