CID 11252054

847818-68-2

Structural Information

Molecular Formula
C5H9BN2O2
SMILES
B(C1=CC(=NN1C)C)(O)O
InChI
InChI=1S/C5H9BN2O2/c1-4-3-5(6(9)10)8(2)7-4/h3,9-10H,1-2H3
InChIKey
RAAWPADCPXAWSK-UHFFFAOYSA-N
Compound name
(2,5-dimethylpyrazol-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

140.07571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.08299 126.5
[M+Na]+ 163.06493 135.8
[M-H]- 139.06843 125.5
[M+NH4]+ 158.10953 146.3
[M+K]+ 179.03887 134.5
[M+H-H2O]+ 123.07297 120.6
[M+HCOO]- 185.07391 146.7
[M+CH3COO]- 199.08956 169.1
[M+Na-2H]- 161.05038 130.4
[M]+ 140.07516 126.2
[M]- 140.07626 126.2
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