CID 177799381

8-[(tert-butoxy)carbonyl]-1-oxa-8-azaspiro[4.6]undecane-2-carboxylic acid

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)N1CCCC2(CCC(O2)C(=O)O)CC1
InChI
InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-9-4-6-15(8-10-16)7-5-11(20-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
FWDJMJSXVQJQJY-UHFFFAOYSA-N
Compound name
9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.6]undecane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.180556 164.6
[M+Na]+ 322.162498 166.4
[M-H]- 298.166004 168.3
[M+NH4]+ 317.207103 179.0
[M+K]+ 338.136438 170.1
[M+H-H2O]+ 282.170540 158.9
[M+HCOO]- 344.171481 176.0
[M+CH3COO]- 358.187131 197.7
[M+Na-2H]- 320.147946 165.6
[M]+ 299.17273142 159.2
[M]- 299.17382858 159.2
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.