CID 59621160

Methyl 3-aminooxolane-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC(=O)C1(CCOC1)N

InChI

InChI=1S/C6H11NO3/c1-9-5(8)6(7)2-3-10-4-6/h2-4,7H2,1H3

InChIKey

WFJFGIAGOSGWMT-UHFFFAOYSA-N

Compound name

methyl 3-aminooxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 145.0739 Da
Monoisotopic Mass: -1.0
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]+	146.081176	128.4
[M+Na]+	168.063118	134.9
[M-H]-	144.066624	132.0
[M+NH4]+	163.107723	151.3
[M+K]+	184.037058	136.3
[M+H-H2O]+	128.071160	124.0
[M+HCOO]-	190.072101	151.0
[M+CH3COO]-	204.087751	172.1
[M+Na-2H]-	166.048566	134.2
[M]+	145.07335142	127.0
[M]-	145.07444858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe