CID 71305599

1373028-09-1

Structural Information

Molecular Formula
C13H19F2NO4
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)(C2(F)F)C(=O)O
InChI
InChI=1S/C13H19F2NO4/c1-11(2,3)20-10(19)16-6-8-4-5-12(7-16,9(17)18)13(8,14)15/h8H,4-7H2,1-3H3,(H,17,18)
InChIKey
CULIOLXISHNQMG-UHFFFAOYSA-N
Compound name
8,8-difluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.1]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1282 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13548 164.5
[M+Na]+ 314.11742 171.7
[M-H]- 290.12092 161.8
[M+NH4]+ 309.16202 185.5
[M+K]+ 330.09136 169.9
[M+H-H2O]+ 274.12546 159.7
[M+HCOO]- 336.12640 174.9
[M+CH3COO]- 350.14205 197.2
[M+Na-2H]- 312.10287 167.2
[M]+ 291.12765 162.0
[M]- 291.12875 162.0
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.