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
(2R,6S)-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]+ 207.037896 140.0
[M+Na]+ 229.019838 149.9
[M-H]- 205.023344 146.5
[M+NH4]+ 224.064443 161.7
[M+K]+ 244.993778 141.2
[M+H-H2O]+ 189.027880 140.7
[M+HCOO]- 251.028821 157.5
[M+CH3COO]- 265.044471 184.1
[M+Na-2H]- 227.005286 146.3
[M]+ 206.03007142 156.7
[M]- 206.03116858 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