CID 121605107

Tert-butyl 4-aminooxane-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)C1(CCOCC1)N

InChI

InChI=1S/C10H19NO3/c1-9(2,3)14-8(12)10(11)4-6-13-7-5-10/h4-7,11H2,1-3H3

InChIKey

HOOONDHSNFGMTF-UHFFFAOYSA-N

Compound name

tert-butyl 4-aminooxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 201.13649 Da
Monoisotopic Mass: 0.4
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]+	202.143766	145.9
[M+Na]+	224.125708	150.4
[M-H]-	200.129214	149.0
[M+NH4]+	219.170313	165.1
[M+K]+	240.099648	151.7
[M+H-H2O]+	184.133750	141.2
[M+HCOO]-	246.134691	163.6
[M+CH3COO]-	260.150341	184.3
[M+Na-2H]-	222.111156	151.8
[M]+	201.13594142	143.5
[M]-	201.13703858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe