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]+ 193.02226 133.5
[M+Na]+ 215.00420 143.8
[M-H]- 191.00770 140.2
[M+NH4]+ 210.04880 157.4
[M+K]+ 230.97814 135.6
[M+H-H2O]+ 175.01224 135.2
[M+HCOO]- 237.01318 151.4
[M+CH3COO]- 251.02883 179.8
[M+Na-2H]- 212.98965 142.2
[M]+ 192.01443 150.0
[M]- 192.01553 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