CID 126970543

4-(bromomethyl)-2,2,6,6-tetramethyloxane

Structural Information

Molecular Formula
C10H19BrO
SMILES
CC1(CC(CC(O1)(C)C)CBr)C
InChI
InChI=1S/C10H19BrO/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8H,5-7H2,1-4H3
InChIKey
FSOOELPAFRDVFP-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,2,6,6-tetramethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06194 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06922 142.3
[M+Na]+ 257.05116 153.1
[M-H]- 233.05466 149.3
[M+NH4]+ 252.09576 166.9
[M+K]+ 273.02510 144.6
[M+H-H2O]+ 217.05920 144.8
[M+HCOO]- 279.06014 159.4
[M+CH3COO]- 293.07579 189.2
[M+Na-2H]- 255.03661 150.3
[M]+ 234.06139 160.8
[M]- 234.06249 160.8
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

No patent data available for this compound.