CID 163321395

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

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CC(C1(COC1)N)O

InChI

InChI=1S/C5H11NO2/c1-4(7)5(6)2-8-3-5/h4,7H,2-3,6H2,1H3

InChIKey

XNLRHJWZAOTUTI-UHFFFAOYSA-N

Compound name

1-(3-aminooxetan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 117.07898 Da
Monoisotopic Mass: -1.5
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	124.4
[M+Na]+	140.068198	129.3
[M-H]-	116.071704	127.0
[M+NH4]+	135.112803	139.6
[M+K]+	156.042138	133.4
[M+H-H2O]+	100.076240	115.3
[M+HCOO]-	162.077181	144.1
[M+CH3COO]-	176.092831	171.7
[M+Na-2H]-	138.053646	131.0
[M]+	117.07843142	130.4
[M]-	117.07952858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe