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]+ 212.16451 151.0
[M+Na]+ 234.14645 154.7
[M-H]- 210.14995 153.4
[M+NH4]+ 229.19105 165.2
[M+K]+ 250.12039 155.9
[M+H-H2O]+ 194.15449 141.5
[M+HCOO]- 256.15543 165.9
[M+CH3COO]- 270.17108 185.5
[M+Na-2H]- 232.13190 153.7
[M]+ 211.15668 156.2
[M]- 211.15778 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.