CID 82391471

Tert-butyl 8-amino-6-azaspiro[3.4]octane-6-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C2(C1)CCC2)N
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-9(13)12(8-14)5-4-6-12/h9H,4-8,13H2,1-3H3
InChIKey
LAGSKIGKSYCEMD-UHFFFAOYSA-N
Compound name
tert-butyl 8-amino-6-azaspiro[3.4]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 155.2
[M+Na]+ 249.157338 159.1
[M-H]- 225.160844 158.6
[M+NH4]+ 244.201943 169.2
[M+K]+ 265.131278 160.9
[M+H-H2O]+ 209.165380 145.1
[M+HCOO]- 271.166321 171.8
[M+CH3COO]- 285.181971 192.6
[M+Na-2H]- 247.142786 157.0
[M]+ 226.16757142 160.7
[M]- 226.16866858 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe