CID 165761627

2219408-71-4

Structural Information

Molecular Formula
C14H22FNO5
SMILES
CC(C)(C)OC(=O)N1CC2(CCOCC2)C(C1)(C(=O)O)F
InChI
InChI=1S/C14H22FNO5/c1-12(2,3)21-11(19)16-8-13(4-6-20-7-5-13)14(15,9-16)10(17)18/h4-9H2,1-3H3,(H,17,18)
InChIKey
QIPJKLBOOAREIM-UHFFFAOYSA-N
Compound name
4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1482 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15548 167.2
[M+Na]+ 326.13742 172.2
[M-H]- 302.14092 168.8
[M+NH4]+ 321.18202 184.8
[M+K]+ 342.11136 172.6
[M+H-H2O]+ 286.14546 162.2
[M+HCOO]- 348.14640 178.2
[M+CH3COO]- 362.16205 196.3
[M+Na-2H]- 324.12287 169.8
[M]+ 303.14765 164.1
[M]- 303.14875 164.1
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.