CID 64175830

3-aminooxane-3-carboxamide hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

C1CC(COC1)(C(=O)N)N

InChI

InChI=1S/C6H12N2O2/c7-5(9)6(8)2-1-3-10-4-6/h1-4,8H2,(H2,7,9)

InChIKey

ATAMJEVMIZHZLI-UHFFFAOYSA-N

Compound name

3-aminooxane-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 144.08987 Da
Monoisotopic Mass: -1.6
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]+	145.097146	130.0
[M+Na]+	167.079088	134.8
[M-H]-	143.082594	132.8
[M+NH4]+	162.123693	150.4
[M+K]+	183.053028	135.5
[M+H-H2O]+	127.087130	124.8
[M+HCOO]-	189.088071	150.6
[M+CH3COO]-	203.103721	175.5
[M+Na-2H]-	165.064536	136.0
[M]+	144.08932142	123.4
[M]-	144.09041858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.