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]+	202.14377	145.9
[M+Na]+	224.12571	153.8
[M+NH4]+	219.17031	154.1
[M+K]+	240.09965	148.9
[M-H]-	200.12921	147.4
[M+Na-2H]-	222.11116	150.2
[M]+	201.13594	147.3
[M]-	201.13704	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe