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

0
Patents

167.0558 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06308 137.9
[M+Na]+ 190.04502 145.7
[M-H]- 166.04852 136.2
[M+NH4]+ 185.08962 161.0
[M+K]+ 206.01896 147.0
[M+H-H2O]+ 150.05306 130.6
[M+HCOO]- 212.05400 152.2
[M+CH3COO]- 226.06965 182.6
[M+Na-2H]- 188.03047 147.5
[M]+ 167.05525 145.7
[M]- 167.05635 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

No patent data available for this compound.