CID 16640532

1025495-85-5

Structural Information

Molecular Formula
C11H13BN2O2
SMILES
B(C1=CC=C(C=C1)N2C(=CC(=N2)C)C)(O)O
InChI
InChI=1S/C11H13BN2O2/c1-8-7-9(2)14(13-8)11-5-3-10(4-6-11)12(15)16/h3-7,15-16H,1-2H3
InChIKey
OJUOPNGDUVRDFU-UHFFFAOYSA-N
Compound name
[4-(3,5-dimethylpyrazol-1-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

216.10701 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11429 146.3
[M+Na]+ 239.09623 155.4
[M-H]- 215.09973 148.7
[M+NH4]+ 234.14083 163.1
[M+K]+ 255.07017 151.8
[M+H-H2O]+ 199.10427 139.1
[M+HCOO]- 261.10521 166.1
[M+CH3COO]- 275.12086 184.0
[M+Na-2H]- 237.08168 148.9
[M]+ 216.10646 146.2
[M]- 216.10756 146.2
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