CID 66545375

875664-30-5

Structural Information

Molecular Formula
C11H15BrO
SMILES
CC(C)(C)C1=CC(=C(C=C1)Br)CO
InChI
InChI=1S/C11H15BrO/c1-11(2,3)9-4-5-10(12)8(6-9)7-13/h4-6,13H,7H2,1-3H3
InChIKey
NYILPGNROQEGKK-UHFFFAOYSA-N
Compound name
(2-bromo-5-tert-butylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03062 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03790 148.2
[M+Na]+ 265.01984 159.8
[M-H]- 241.02334 153.6
[M+NH4]+ 260.06444 169.4
[M+K]+ 280.99378 148.3
[M+H-H2O]+ 225.02788 149.1
[M+HCOO]- 287.02882 166.8
[M+CH3COO]- 301.04447 188.9
[M+Na-2H]- 263.00529 154.9
[M]+ 242.03007 167.0
[M]- 242.03117 167.0
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

No patent data available for this compound.