CID 155978198

1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine hydrochloride

Structural Information

Molecular Formula
C6H8F3NO
SMILES
C1C2(CC1(OC2)C(F)(F)F)N
InChI
InChI=1S/C6H8F3NO/c7-6(8,9)5-1-4(10,2-5)3-11-5/h1-3,10H2
InChIKey
DDAJUWQNJWZPAW-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.0558 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.063076 137.9
[M+Na]+ 190.045018 145.7
[M-H]- 166.048524 136.2
[M+NH4]+ 185.089623 161.0
[M+K]+ 206.018958 147.0
[M+H-H2O]+ 150.053060 130.6
[M+HCOO]- 212.054001 152.2
[M+CH3COO]- 226.069651 182.6
[M+Na-2H]- 188.030466 147.5
[M]+ 167.05525142 145.7
[M]- 167.05634858 145.7
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