CID 73977868

1367777-12-5

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCNC2(C1)COC2

InChI

InChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-5-4-12-11(6-13)7-15-8-11/h12H,4-8H2,1-3H3

InChIKey

YUSLKABKYBSTRL-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 228.1474 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]+	229.154676	151.8
[M+Na]+	251.136618	155.2
[M-H]-	227.140124	153.1
[M+NH4]+	246.181223	161.0
[M+K]+	267.110558	158.5
[M+H-H2O]+	211.144660	140.5
[M+HCOO]-	273.145601	163.0
[M+CH3COO]-	287.161251	187.1
[M+Na-2H]-	249.122066	157.3
[M]+	228.14685142	157.0
[M]-	228.14794858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe