CID 64108768

4-bromo-2,2-dimethyloxane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1(CC(CCO1)Br)C
InChI
InChI=1S/C7H13BrO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5H2,1-2H3
InChIKey
NIUKLEOPCNIFFU-UHFFFAOYSA-N
Compound name
4-bromo-2,2-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

192.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 133.5
[M+Na]+ 215.004198 143.8
[M-H]- 191.007704 140.2
[M+NH4]+ 210.048803 157.4
[M+K]+ 230.978138 135.6
[M+H-H2O]+ 175.012240 135.2
[M+HCOO]- 237.013181 151.4
[M+CH3COO]- 251.028831 179.8
[M+Na-2H]- 212.989646 142.2
[M]+ 192.01443142 150.0
[M]- 192.01552858 150.0
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

patents stripe