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]+ 179.006606 131.3
[M+Na]+ 200.988548 141.1
[M-H]- 176.992054 137.8
[M+NH4]+ 196.033153 153.8
[M+K]+ 216.962488 133.0
[M+H-H2O]+ 160.996590 132.3
[M+HCOO]- 222.997531 149.5
[M+CH3COO]- 237.013181 177.4
[M+Na-2H]- 198.973996 139.3
[M]+ 177.99878142 147.0
[M]- 177.99987858 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.