CID 3010315

4-bromo-2-[(4r,5s)-4,5-dimethyl-4-bicyclo[3.1.0]hexanyl]-5-methyl-phenol

Structural Information

Molecular Formula
C15H19BrO
SMILES
CC1=CC(=C(C=C1Br)[C@@]2(CCC3[C@@]2(C3)C)C)O
InChI
InChI=1S/C15H19BrO/c1-9-6-13(17)11(7-12(9)16)14(2)5-4-10-8-15(10,14)3/h6-7,10,17H,4-5,8H2,1-3H3/t10?,14-,15-/m0/s1
InChIKey
UGGAHNIITODSKB-YSYSQYOCSA-N
Compound name
4-bromo-2-[(1S,2R)-1,2-dimethyl-2-bicyclo[3.1.0]hexanyl]-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.06192 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06920 159.8
[M+Na]+ 317.05114 174.5
[M-H]- 293.05464 170.0
[M+NH4]+ 312.09574 180.9
[M+K]+ 333.02508 162.8
[M+H-H2O]+ 277.05918 162.2
[M+HCOO]- 339.06012 177.5
[M+CH3COO]- 353.07577 174.6
[M+Na-2H]- 315.03659 165.0
[M]+ 294.06137 180.9
[M]- 294.06247 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.