CID 55276688

(6-methylnaphthalen-2-yl)boronic acid

Structural Information

Molecular Formula
C11H11BO2
SMILES
B(C1=CC2=C(C=C1)C=C(C=C2)C)(O)O
InChI
InChI=1S/C11H11BO2/c1-8-2-3-10-7-11(12(13)14)5-4-9(10)6-8/h2-7,13-14H,1H3
InChIKey
GJBPFQITAMLKNI-UHFFFAOYSA-N
Compound name
(6-methylnaphthalen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

186.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09248 136.8
[M+Na]+ 209.07442 145.2
[M-H]- 185.07792 139.2
[M+NH4]+ 204.11902 156.7
[M+K]+ 225.04836 141.7
[M+H-H2O]+ 169.08246 131.6
[M+HCOO]- 231.08340 156.9
[M+CH3COO]- 245.09905 179.3
[M+Na-2H]- 207.05987 143.5
[M]+ 186.08465 135.9
[M]- 186.08575 135.9
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