CID 54758968

Tert-butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CCO2

InChI

InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-6-10(7-11)4-5-13-10/h4-7H2,1-3H3

InChIKey

QOXFRPSIASGKGE-UHFFFAOYSA-N

Compound name

tert-butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 199.12085 Da
Monoisotopic Mass: 0.8
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]+	200.128126	135.5
[M+Na]+	222.110068	139.3
[M-H]-	198.113574	140.1
[M+NH4]+	217.154673	141.4
[M+K]+	238.084008	146.2
[M+H-H2O]+	182.118110	122.3
[M+HCOO]-	244.119051	150.1
[M+CH3COO]-	258.134701	194.5
[M+Na-2H]-	220.095516	142.1
[M]+	199.12030142	153.0
[M]-	199.12139858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe