CID 57512901

1375709-26-4

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1CC(OC1)C(CN)O

InChI

InChI=1S/C6H13NO2/c7-4-5(8)6-2-1-3-9-6/h5-6,8H,1-4,7H2

InChIKey

QVUIHZHGZPZYKO-UHFFFAOYSA-N

Compound name

2-amino-1-(oxolan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 131.09464 Da
Monoisotopic Mass: -0.9
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	128.5
[M+Na]+	154.083858	133.3
[M-H]-	130.087364	130.2
[M+NH4]+	149.128463	149.3
[M+K]+	170.057798	133.7
[M+H-H2O]+	114.091900	123.2
[M+HCOO]-	176.092841	149.1
[M+CH3COO]-	190.108491	169.4
[M+Na-2H]-	152.069306	132.4
[M]+	131.09409142	124.1
[M]-	131.09518858	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe