CID 15228705

3-[(tert-butoxy)carbonyl]-3-azaspiro[5.5]undecane-9-carboxylic acid

Structural Information

Molecular Formula
C16H27NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(CC2)C(=O)O)CC1
InChI
InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-8-16(9-11-17)6-4-12(5-7-16)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKey
ZDWMIWSOZZMELY-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azaspiro[5.5]undecane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

297.194 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.201276 172.0
[M+Na]+ 320.183218 174.1
[M-H]- 296.186724 173.1
[M+NH4]+ 315.227823 187.1
[M+K]+ 336.157158 172.9
[M+H-H2O]+ 280.191260 165.7
[M+HCOO]- 342.192201 181.8
[M+CH3COO]- 356.207851 198.1
[M+Na-2H]- 318.168666 172.7
[M]+ 297.19345142 165.9
[M]- 297.19454858 165.9
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