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]+ 220.033156 144.4
[M+Na]+ 242.015098 154.1
[M-H]- 218.018604 149.6
[M+NH4]+ 237.059703 169.7
[M+K]+ 257.989038 144.6
[M+H-H2O]+ 202.023140 145.7
[M+HCOO]- 264.024081 161.2
[M+CH3COO]- 278.039731 185.5
[M+Na-2H]- 240.000546 151.9
[M]+ 219.02533142 159.4
[M]- 219.02642858 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.