CID 121210416

2098034-58-1

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

C(CN)C1(N=N1)CCO

InChI

InChI=1S/C5H11N3O/c6-3-1-5(2-4-9)7-8-5/h9H,1-4,6H2

InChIKey

LBXMXVCMMLRCBW-UHFFFAOYSA-N

Compound name

2-[3-(2-aminoethyl)diazirin-3-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.09021 Da
Monoisotopic Mass: -0.8
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]+	130.09749	127.6
[M+Na]+	152.07943	139.1
[M+NH4]+	147.12403	136.5
[M+K]+	168.05337	134.2
[M-H]-	128.08293	134.3
[M+Na-2H]-	150.06488	136.5
[M]+	129.08966	132.1
[M]-	129.09076	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.