CID 73977850

Tert-butyl 5-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H21NO2
SMILES
CC(C)(C)OC(=O)C1CC2(C1)CCCN2
InChI
InChI=1S/C12H21NO2/c1-11(2,3)15-10(14)9-7-12(8-9)5-4-6-13-12/h9,13H,4-8H2,1-3H3
InChIKey
JKKMWWFRZIMOGX-UHFFFAOYSA-N
Compound name
tert-butyl 5-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 151.0
[M+Na]+ 234.146448 154.7
[M-H]- 210.149954 153.4
[M+NH4]+ 229.191053 165.2
[M+K]+ 250.120388 155.9
[M+H-H2O]+ 194.154490 141.5
[M+HCOO]- 256.155431 165.9
[M+CH3COO]- 270.171081 185.5
[M+Na-2H]- 232.131896 153.7
[M]+ 211.15668142 156.2
[M]- 211.15777858 156.2
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

No patent data available for this compound.