CID 71700035

1260802-34-3

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C2(C1)CC2)N

InChI

InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-4-9(13)12(8-14)5-6-12/h9H,4-8,13H2,1-3H3

InChIKey

MOMZQKDPZCSNQR-UHFFFAOYSA-N

Compound name

tert-butyl 8-amino-5-azaspiro[2.5]octane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 226.16812 Da
Monoisotopic Mass: 1.0
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]+	227.17540	157.0
[M+Na]+	249.15734	164.2
[M-H]-	225.16084	161.3
[M+NH4]+	244.20194	171.2
[M+K]+	265.13128	162.4
[M+H-H2O]+	209.16538	151.5
[M+HCOO]-	271.16632	173.5
[M+CH3COO]-	285.18197	193.1
[M+Na-2H]-	247.14279	160.9
[M]+	226.16757	156.3
[M]-	226.16867	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe