CID 51358567

674792-08-6

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNCC12CC2

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-6-12-8-11(13)4-5-11/h12H,4-8H2,1-3H3

InChIKey

XNLYPHAMXHERHS-UHFFFAOYSA-N

Compound name

tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 725
Patents: 212.15248 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]+	213.15976	158.6
[M+Na]+	235.14170	165.7
[M-H]-	211.14520	160.5
[M+NH4]+	230.18630	171.5
[M+K]+	251.11564	163.5
[M+H-H2O]+	195.14974	152.3
[M+HCOO]-	257.15068	172.3
[M+CH3COO]-	271.16633	185.2
[M+Na-2H]-	233.12715	163.2
[M]+	212.15193	157.3
[M]-	212.15303	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe