CID 165793602

1-(trifluoromethyl)-2-oxabicyclo[2.2.2]octan-4-amine

Structural Information

Molecular Formula
C8H12F3NO
SMILES
C1CC2(CCC1(CO2)N)C(F)(F)F
InChI
InChI=1S/C8H12F3NO/c9-8(10,11)7-3-1-6(12,2-4-7)5-13-7/h1-5,12H2
InChIKey
KHAQZLGMJWTEHB-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)-2-oxabicyclo[2.2.2]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0871 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09438 141.8
[M+Na]+ 218.07632 148.0
[M-H]- 194.07982 135.3
[M+NH4]+ 213.12092 167.6
[M+K]+ 234.05026 146.4
[M+H-H2O]+ 178.08436 135.4
[M+HCOO]- 240.08530 149.1
[M+CH3COO]- 254.10095 151.8
[M+Na-2H]- 216.06177 155.0
[M]+ 195.08655 137.5
[M]- 195.08765 137.5
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.