CID 177789610

9-[(tert-butoxy)carbonyl]-1,4-dioxa-9-azaspiro[5.5]undecane-3-carboxylic acid

Structural Information

Molecular Formula
C14H23NO6
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)COC(CO2)C(=O)O
InChI
InChI=1S/C14H23NO6/c1-13(2,3)21-12(18)15-6-4-14(5-7-15)9-19-10(8-20-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
MOGKHWMWGFQEQO-UHFFFAOYSA-N
Compound name
9-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-9-azaspiro[5.5]undecane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15253 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15981 167.7
[M+Na]+ 324.14175 170.8
[M-H]- 300.14525 170.6
[M+NH4]+ 319.18635 179.9
[M+K]+ 340.11569 173.1
[M+H-H2O]+ 284.14979 161.5
[M+HCOO]- 346.15073 176.8
[M+CH3COO]- 360.16638 197.3
[M+Na-2H]- 322.12720 171.7
[M]+ 301.15198 165.3
[M]- 301.15308 165.3
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.