CID 131472467

3-amino-3-cyclopropylpropane-1,2-diol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1CC1C(C(CO)O)N

InChI

InChI=1S/C6H13NO2/c7-6(4-1-2-4)5(9)3-8/h4-6,8-9H,1-3,7H2

InChIKey

ILKSFLOKTMWSRO-UHFFFAOYSA-N

Compound name

3-amino-3-cyclopropylpropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.09464 Da
Monoisotopic Mass: -1.2
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]+	132.10192	124.4
[M+Na]+	154.08386	131.5
[M-H]-	130.08736	126.0
[M+NH4]+	149.12846	139.6
[M+K]+	170.05780	129.1
[M+H-H2O]+	114.09190	119.1
[M+HCOO]-	176.09284	144.7
[M+CH3COO]-	190.10849	174.0
[M+Na-2H]-	152.06931	128.2
[M]+	131.09409	123.3
[M]-	131.09519	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.