CID 165804505

Rac-(1r,5r)-6,6-difluoro-3-oxabicyclo[3.1.0]hexan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H7F2NO
SMILES
C1[C@@H]2[C@@](C2(F)F)(CO1)N
InChI
InChI=1S/C5H7F2NO/c6-5(7)3-1-9-2-4(3,5)8/h3H,1-2,8H2/t3-,4-/m1/s1
InChIKey
DPBUFAIVFHTODL-QWWZWVQMSA-N
Compound name
(1S,5S)-6,6-difluoro-3-oxabicyclo[3.1.0]hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04958 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05686 117.9
[M+Na]+ 158.03880 129.4
[M-H]- 134.04230 121.7
[M+NH4]+ 153.08340 139.6
[M+K]+ 174.01274 129.0
[M+H-H2O]+ 118.04684 113.2
[M+HCOO]- 180.04778 137.9
[M+CH3COO]- 194.06343 175.8
[M+Na-2H]- 156.02425 126.9
[M]+ 135.04903 117.5
[M]- 135.05013 117.5
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.