CID 64890062

Tert-butyl 3-aminooxolane-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C)(C)OC(=O)C1(CCOC1)N

InChI

InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)9(10)4-5-12-6-9/h4-6,10H2,1-3H3

InChIKey

GAPVPIADZVYYRO-UHFFFAOYSA-N

Compound name

tert-butyl 3-aminooxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.12085 Da
Monoisotopic Mass: 0.0
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]+	188.128126	141.4
[M+Na]+	210.110068	147.2
[M-H]-	186.113574	144.9
[M+NH4]+	205.154673	163.0
[M+K]+	226.084008	148.4
[M+H-H2O]+	170.118110	137.5
[M+HCOO]-	232.119051	161.6
[M+CH3COO]-	246.134701	180.9
[M+Na-2H]-	208.095516	146.8
[M]+	187.12030142	140.6
[M]-	187.12139858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.