CID 168025110

Akos040805482

Structural Information

Molecular Formula
C15H24FNO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C(C(=O)O)F
InChI
InChI=1S/C15H24FNO4/c1-14(2,3)21-13(20)17-6-4-15(5-7-17)8-10(9-15)11(16)12(18)19/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKey
XXHJNYDSNBZNET-UHFFFAOYSA-N
Compound name
2-fluoro-2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.16895 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17623 172.8
[M+Na]+ 324.15817 174.7
[M-H]- 300.16167 173.1
[M+NH4]+ 319.20277 181.3
[M+K]+ 340.13211 177.0
[M+H-H2O]+ 284.16621 161.3
[M+HCOO]- 346.16715 182.0
[M+CH3COO]- 360.18280 202.8
[M+Na-2H]- 322.14362 171.8
[M]+ 301.16840 177.0
[M]- 301.16950 177.0
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.