CID 165800276

Rac-1-[(1r,4r,5r)-4-bromo-6-oxabicyclo[3.2.1]octan-1-yl]methanaminehydrochloride

Structural Information

Molecular Formula
C8H14BrNO
SMILES
C1C[C@@]2(C[C@H]([C@@H]1Br)OC2)CN
InChI
InChI=1S/C8H14BrNO/c9-6-1-2-8(4-10)3-7(6)11-5-8/h6-7H,1-5,10H2/t6-,7-,8-/m1/s1
InChIKey
BWZFEAHYVVOSOZ-BWZBUEFSSA-N
Compound name
[(1R,4R,5R)-4-bromo-6-oxabicyclo[3.2.1]octan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02588 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 144.4
[M+Na]+ 242.01510 154.1
[M-H]- 218.01860 149.6
[M+NH4]+ 237.05970 169.7
[M+K]+ 257.98904 144.6
[M+H-H2O]+ 202.02314 145.7
[M+HCOO]- 264.02408 161.2
[M+CH3COO]- 278.03973 185.5
[M+Na-2H]- 240.00055 151.9
[M]+ 219.02533 159.4
[M]- 219.02643 159.4
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.