CID 177786080

6-[(tert-butoxy)carbonyl]-1-fluoro-6-azaspiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula
C13H20FNO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2(C(=O)O)F
InChI
InChI=1S/C13H20FNO4/c1-11(2,3)19-10(18)15-6-4-12(5-7-15)8-13(12,14)9(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKey
WCNOGDKHZBHJAS-UHFFFAOYSA-N
Compound name
2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.13763 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14491 164.2
[M+Na]+ 296.12685 171.9
[M-H]- 272.13035 166.5
[M+NH4]+ 291.17145 178.0
[M+K]+ 312.10079 170.9
[M+H-H2O]+ 256.13489 159.6
[M+HCOO]- 318.13583 176.6
[M+CH3COO]- 332.15148 195.8
[M+Na-2H]- 294.11230 167.7
[M]+ 273.13708 164.9
[M]- 273.13818 164.9
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

No patent data available for this compound.