CID 106938545

Schembl21083024

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: 13
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]+	132.10192	126.5
[M+Na]+	154.08386	131.3
[M-H]-	130.08736	128.1
[M+NH4]+	149.12846	140.7
[M+K]+	170.05780	133.7
[M+H-H2O]+	114.09190	116.0
[M+HCOO]-	176.09284	147.7
[M+CH3COO]-	190.10849	175.4
[M+Na-2H]-	152.06931	131.1
[M]+	131.09409	132.9
[M]-	131.09519	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe