CID 115007072

1-(azetidin-3-yl)ethane-1,2-diol hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CN1)C(CO)O

InChI

InChI=1S/C5H11NO2/c7-3-5(8)4-1-6-2-4/h4-8H,1-3H2

InChIKey

IBWPFVQNFBMXJB-UHFFFAOYSA-N

Compound name

1-(azetidin-3-yl)ethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	125.7
[M+Na]+	140.068198	130.0
[M-H]-	116.071704	123.6
[M+NH4]+	135.112803	138.1
[M+K]+	156.042138	131.6
[M+H-H2O]+	100.076240	115.3
[M+HCOO]-	162.077181	141.8
[M+CH3COO]-	176.092831	165.7
[M+Na-2H]-	138.053646	129.9
[M]+	117.07843142	129.4
[M]-	117.07952858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.