CID 24950198

1,3,4-oxadiazol-2(3h)-one, 5-(aminomethyl)-, hydrochloride (1:1)

Structural Information

Molecular Formula

C₃H₅N₃O₂

SMILES

C(C1=NNC(=O)O1)N

InChI

InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)

InChIKey

BGFKDHCRDPQSGH-UHFFFAOYSA-N

Compound name

5-(aminomethyl)-3H-1,3,4-oxadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 115.03818 Da
Monoisotopic Mass: -1.1
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]+	116.045456	117.5
[M+Na]+	138.027398	127.3
[M-H]-	114.030904	118.0
[M+NH4]+	133.072003	136.8
[M+K]+	154.001338	126.7
[M+H-H2O]+	98.035440	111.1
[M+HCOO]-	160.036381	140.7
[M+CH3COO]-	174.052031	164.6
[M+Na-2H]-	136.012846	125.3
[M]+	115.03763142	116.4
[M]-	115.03872858	116.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe