CID 25248077

1287753-41-6

Structural Information

Molecular Formula
C12H15BN2O2
SMILES
B(C1=C(C=C(C=C1)C)N2C(=CC(=N2)C)C)(O)O
InChI
InChI=1S/C12H15BN2O2/c1-8-4-5-11(13(16)17)12(6-8)15-10(3)7-9(2)14-15/h4-7,16-17H,1-3H3
InChIKey
PBNRTWNGRDPMFC-UHFFFAOYSA-N
Compound name
[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12995 152.3
[M+Na]+ 253.11189 165.1
[M+NH4]+ 248.15649 159.2
[M+K]+ 269.08583 161.9
[M-H]- 229.11539 153.8
[M+Na-2H]- 251.09734 158.1
[M]+ 230.12212 154.4
[M]- 230.12322 154.4
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