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]+ 306.151136 169.0
[M+Na]+ 328.133078 174.9
[M-H]- 304.136584 165.8
[M+NH4]+ 323.177683 187.5
[M+K]+ 344.107018 173.4
[M+H-H2O]+ 288.141120 163.2
[M+HCOO]- 350.142061 176.8
[M+CH3COO]- 364.157711 200.7
[M+Na-2H]- 326.118526 172.4
[M]+ 305.14331142 164.8
[M]- 305.14440858 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.