CID 2734320

4-tert-butylphenylboronic acid

Structural Information

Molecular Formula
C10H15BO2
SMILES
B(C1=CC=C(C=C1)C(C)(C)C)(O)O
InChI
InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3
InChIKey
MNJYZNVROSZZQC-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4290
Patents

178.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12380 138.5
[M+Na]+ 201.10574 145.5
[M-H]- 177.10924 139.7
[M+NH4]+ 196.15034 157.7
[M+K]+ 217.07968 143.4
[M+H-H2O]+ 161.11378 133.9
[M+HCOO]- 223.11472 157.4
[M+CH3COO]- 237.13037 177.2
[M+Na-2H]- 199.09119 143.7
[M]+ 178.11597 137.4
[M]- 178.11707 137.4
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

patents stripe