CID 167729377

1-[(tert-butoxy)carbonyl]-1-azaspiro[3.6]decane-2-carboxylic acid

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1C(CC12CCCCCC2)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-11(12(17)18)10-15(16)8-6-4-5-7-9-15/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
HVPDPUAVPAAYEF-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.6]decane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 164.3
[M+Na]+ 306.16756 165.2
[M-H]- 282.17106 167.2
[M+NH4]+ 301.21216 173.0
[M+K]+ 322.14150 170.2
[M+H-H2O]+ 266.17560 154.9
[M+HCOO]- 328.17654 175.3
[M+CH3COO]- 342.19219 200.1
[M+Na-2H]- 304.15301 165.0
[M]+ 283.17779 166.8
[M]- 283.17889 166.8
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.