CID 18616974

259209-27-3

Structural Information

Molecular Formula
C10H15BO3
SMILES
B(C1=C(C=CC(=C1)C(C)(C)C)O)(O)O
InChI
InChI=1S/C10H15BO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12-14H,1-3H3
InChIKey
KAHMKMRXTYEUCA-UHFFFAOYSA-N
Compound name
(5-tert-butyl-2-hydroxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11870 141.7
[M+Na]+ 217.10064 149.0
[M-H]- 193.10414 141.9
[M+NH4]+ 212.14524 159.8
[M+K]+ 233.07458 146.7
[M+H-H2O]+ 177.10868 137.4
[M+HCOO]- 239.10962 159.3
[M+CH3COO]- 253.12527 178.1
[M+Na-2H]- 215.08609 145.7
[M]+ 194.11087 140.6
[M]- 194.11197 140.6
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