CID 137949197

2137830-26-1

Structural Information

Molecular Formula
C13H20FNO4
SMILES
CC(C)(C)OC(=O)N1CC2(CCC2)C(C1)(C(=O)O)F
InChI
InChI=1S/C13H20FNO4/c1-11(2,3)19-10(18)15-7-12(5-4-6-12)13(14,8-15)9(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKey
QRQQDYAUTNGEIH-UHFFFAOYSA-N
Compound name
8-fluoro-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.13763 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14491 163.7
[M+Na]+ 296.12685 168.4
[M-H]- 272.13035 165.3
[M+NH4]+ 291.17145 177.4
[M+K]+ 312.10079 170.1
[M+H-H2O]+ 256.13489 155.0
[M+HCOO]- 318.13583 176.7
[M+CH3COO]- 332.15148 195.3
[M+Na-2H]- 294.11230 165.2
[M]+ 273.13708 170.4
[M]- 273.13818 170.4
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.