CID 74040486

2065-77-2

Structural Information

Molecular Formula
C10H17BrO
SMILES
CC1(CC(=O)C(C(C1)(C)C)Br)C
InChI
InChI=1S/C10H17BrO/c1-9(2)5-7(12)8(11)10(3,4)6-9/h8H,5-6H2,1-4H3
InChIKey
SSUUZZPYKJHKEE-UHFFFAOYSA-N
Compound name
2-bromo-3,3,5,5-tetramethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04628 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05356 138.8
[M+Na]+ 255.03550 150.8
[M-H]- 231.03900 145.6
[M+NH4]+ 250.08010 164.9
[M+K]+ 271.00944 140.7
[M+H-H2O]+ 215.04354 141.7
[M+HCOO]- 277.04448 157.0
[M+CH3COO]- 291.06013 189.5
[M+Na-2H]- 253.02095 145.5
[M]+ 232.04573 156.4
[M]- 232.04683 156.4
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.