CID 119056835

1312411-21-4

Structural Information

Molecular Formula
C12H18FNO5
SMILES
CC(C)(C)OC(=O)N1CC2(COC2)C(C1)(C(=O)O)F
InChI
InChI=1S/C12H18FNO5/c1-10(2,3)19-9(17)14-4-11(6-18-7-11)12(13,5-14)8(15)16/h4-7H2,1-3H3,(H,15,16)
InChIKey
SXHOZQXPJZPADE-UHFFFAOYSA-N
Compound name
5-fluoro-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-7-azaspiro[3.4]octane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1169 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12418 158.7
[M+Na]+ 298.10612 163.5
[M-H]- 274.10962 161.0
[M+NH4]+ 293.15072 170.9
[M+K]+ 314.08006 167.1
[M+H-H2O]+ 258.11416 150.2
[M+HCOO]- 320.11510 171.3
[M+CH3COO]- 334.13075 194.7
[M+Na-2H]- 296.09157 162.0
[M]+ 275.11635 167.0
[M]- 275.11745 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.