CID 106938545

2159138-71-1

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1C(CC1OCCO)N

InChI

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

InChIKey

NGOZQEQFOBUBPY-UHFFFAOYSA-N

Compound name

2-(3-aminocyclobutyl)oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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	126.5
[M+Na]+	154.083858	131.3
[M-H]-	130.087364	128.1
[M+NH4]+	149.128463	140.7
[M+K]+	170.057798	133.7
[M+H-H2O]+	114.091900	116.0
[M+HCOO]-	176.092841	147.7
[M+CH3COO]-	190.108491	175.4
[M+Na-2H]-	152.069306	131.1
[M]+	131.09409142	132.9
[M]-	131.09518858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe