CID 124486299

Rac-(2r,4r)-4-bromo-2-methyloxane

Structural Information

Molecular Formula
C6H11BrO
SMILES
C[C@@H]1C[C@@H](CCO1)Br
InChI
InChI=1S/C6H11BrO/c1-5-4-6(7)2-3-8-5/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKey
XGUHBPURLJMNNN-PHDIDXHHSA-N
Compound name
(2R,4R)-4-bromo-2-methyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 131.3
[M+Na]+ 200.98855 141.1
[M-H]- 176.99205 137.8
[M+NH4]+ 196.03315 153.8
[M+K]+ 216.96249 133.0
[M+H-H2O]+ 160.99659 132.3
[M+HCOO]- 222.99753 149.5
[M+CH3COO]- 237.01318 177.4
[M+Na-2H]- 198.97400 139.3
[M]+ 177.99878 147.0
[M]- 177.99988 147.0
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.