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]+	132.101916	124.4
[M+Na]+	154.083858	131.5
[M-H]-	130.087364	126.0
[M+NH4]+	149.128463	139.6
[M+K]+	170.057798	129.1
[M+H-H2O]+	114.091900	119.1
[M+HCOO]-	176.092841	144.7
[M+CH3COO]-	190.108491	174.0
[M+Na-2H]-	152.069306	128.2
[M]+	131.09409142	123.3
[M]-	131.09518858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.