CID 71305511

1373028-94-4

Structural Information

Molecular Formula
C14H21F2NO4
SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C1)(C2(F)F)C(=O)O
InChI
InChI=1S/C14H21F2NO4/c1-12(2,3)21-11(20)17-7-9-5-4-6-13(8-17,10(18)19)14(9,15)16/h9H,4-8H2,1-3H3,(H,18,19)
InChIKey
SWMZHBGHKMHCJT-UHFFFAOYSA-N
Compound name
9,9-difluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.3.1]nonane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14386 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15114 169.0
[M+Na]+ 328.13308 174.9
[M-H]- 304.13658 165.8
[M+NH4]+ 323.17768 187.5
[M+K]+ 344.10702 173.4
[M+H-H2O]+ 288.14112 163.2
[M+HCOO]- 350.14206 176.8
[M+CH3COO]- 364.15771 200.7
[M+Na-2H]- 326.11853 172.4
[M]+ 305.14331 164.8
[M]- 305.14441 164.8
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.