CID 132259850

2170372-49-1

Structural Information

Molecular Formula
C8H13F2NO
SMILES
C1CC2(CCC1(CO2)N)C(F)F
InChI
InChI=1S/C8H13F2NO/c9-6(10)8-3-1-7(11,2-4-8)5-12-8/h6H,1-5,11H2
InChIKey
KBHSXFRYSJHXIG-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-2-oxabicyclo[2.2.2]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

177.09653 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.103806 137.2
[M+Na]+ 200.085748 142.4
[M-H]- 176.089254 131.8
[M+NH4]+ 195.130353 163.5
[M+K]+ 216.059688 141.3
[M+H-H2O]+ 160.093790 131.0
[M+HCOO]- 222.094731 146.1
[M+CH3COO]- 236.110381 147.5
[M+Na-2H]- 198.071196 149.0
[M]+ 177.09598142 133.8
[M]- 177.09707858 133.8
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

patents stripe