CID 71432942

2-(3-aminooxetan-3-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CO1)(CCO)N

InChI

InChI=1S/C5H11NO2/c6-5(1-2-7)3-8-4-5/h7H,1-4,6H2

InChIKey

JTQCSLLDJIBJGP-UHFFFAOYSA-N

Compound name

2-(3-aminooxetan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 117.07898 Da
Monoisotopic Mass: -1.0
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]+	118.086256	122.0
[M+Na]+	140.068198	127.3
[M-H]-	116.071704	124.6
[M+NH4]+	135.112803	137.4
[M+K]+	156.042138	130.9
[M+H-H2O]+	100.076240	113.0
[M+HCOO]-	162.077181	142.8
[M+CH3COO]-	176.092831	170.8
[M+Na-2H]-	138.053646	130.1
[M]+	117.07843142	128.8
[M]-	117.07952858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe