CID 132342059

2137099-16-0

Structural Information

Molecular Formula
C8H15BrO
SMILES
C[C@@H]1CC(C[C@@H](O1)C)CBr
InChI
InChI=1S/C8H15BrO/c1-6-3-8(5-9)4-7(2)10-6/h6-8H,3-5H2,1-2H3/t6-,7+,8?
InChIKey
HQTDLPJLQXNLEL-DHBOJHSNSA-N
Compound name
(2S,6R)-4-(bromomethyl)-2,6-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

206.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 140.0
[M+Na]+ 229.01984 149.9
[M-H]- 205.02334 146.5
[M+NH4]+ 224.06444 161.7
[M+K]+ 244.99378 141.2
[M+H-H2O]+ 189.02788 140.7
[M+HCOO]- 251.02882 157.5
[M+CH3COO]- 265.04447 184.1
[M+Na-2H]- 227.00529 146.3
[M]+ 206.03007 156.7
[M]- 206.03117 156.7
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

patents stripe