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]+ 304.155476 167.2
[M+Na]+ 326.137418 172.2
[M-H]- 302.140924 168.8
[M+NH4]+ 321.182023 184.8
[M+K]+ 342.111358 172.6
[M+H-H2O]+ 286.145460 162.2
[M+HCOO]- 348.146401 178.2
[M+CH3COO]- 362.162051 196.3
[M+Na-2H]- 324.122866 169.8
[M]+ 303.14765142 164.1
[M]- 303.14874858 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.