CID 21866463

740783-92-0

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

C1=C(ON=C1C(=O)N)CN

InChI

InChI=1S/C5H7N3O2/c6-2-3-1-4(5(7)9)8-10-3/h1H,2,6H2,(H2,7,9)

InChIKey

PYMWWSDWIWAHMF-UHFFFAOYSA-N

Compound name

5-(aminomethyl)-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 141.05383 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]+	142.06111	126.4
[M+Na]+	164.04305	134.5
[M-H]-	140.04655	129.0
[M+NH4]+	159.08765	145.9
[M+K]+	180.01699	134.5
[M+H-H2O]+	124.05109	119.8
[M+HCOO]-	186.05203	151.1
[M+CH3COO]-	200.06768	175.6
[M+Na-2H]-	162.02850	131.8
[M]+	141.05328	124.9
[M]-	141.05438	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe