CID 57699699

1050494-70-6

Structural Information

Molecular Formula
C8H15BrO
SMILES
CC1(CC(CCO1)CBr)C
InChI
InChI=1S/C8H15BrO/c1-8(2)5-7(6-9)3-4-10-8/h7H,3-6H2,1-2H3
InChIKey
WOYFLWORBWUVJY-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,2-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

206.03062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 138.9
[M+Na]+ 229.01984 141.3
[M+NH4]+ 224.06444 145.8
[M+K]+ 244.99378 139.7
[M-H]- 205.02334 140.9
[M+Na-2H]- 227.00529 142.3
[M]+ 206.03007 138.8
[M]- 206.03117 138.8
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