CID 313129

21690-26-6

Structural Information

Molecular Formula
C8H13BrO
SMILES
CC1(CCCC(C1=O)Br)C
InChI
InChI=1S/C8H13BrO/c1-8(2)5-3-4-6(9)7(8)10/h6H,3-5H2,1-2H3
InChIKey
NQKPKIZHPZWYJJ-UHFFFAOYSA-N
Compound name
6-bromo-2,2-dimethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

204.01498 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02226 137.4
[M+Na]+ 227.00420 139.9
[M+NH4]+ 222.04880 144.2
[M+K]+ 242.97814 138.2
[M-H]- 203.00770 138.1
[M+Na-2H]- 224.98965 141.0
[M]+ 204.01443 136.9
[M]- 204.01553 136.9
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