CID 55281089

Dtxsid401259585

Structural Information

Molecular Formula

C₄H₇N₃O₂

SMILES

CC(C1=NN=C(O1)N)O

InChI

InChI=1S/C4H7N3O2/c1-2(8)3-6-7-4(5)9-3/h2,8H,1H3,(H2,5,7)

InChIKey

TUWHJLGOSFUSLI-UHFFFAOYSA-N

Compound name

1-(5-amino-1,3,4-oxadiazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.05383 Da
Monoisotopic Mass: -1.8
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]+	130.06111	123.5
[M+Na]+	152.04305	132.3
[M-H]-	128.04655	124.0
[M+NH4]+	147.08765	142.2
[M+K]+	168.01699	132.6
[M+H-H2O]+	112.05109	116.9
[M+HCOO]-	174.05203	145.2
[M+CH3COO]-	188.06768	169.3
[M+Na-2H]-	150.02850	129.6
[M]+	129.05328	122.8
[M]-	129.05438	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.