CID 53216326

1217501-27-3

Structural Information

Molecular Formula
C9H15BN2O4
SMILES
B(C1=CC(=NN1C(=O)OC(C)(C)C)C)(O)O
InChI
InChI=1S/C9H15BN2O4/c1-6-5-7(10(14)15)12(11-6)8(13)16-9(2,3)4/h5,14-15H,1-4H3
InChIKey
JCGANVBFCXPIOL-UHFFFAOYSA-N
Compound name
[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

226.11249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11977 149.8
[M+Na]+ 249.10171 157.9
[M+NH4]+ 244.14631 154.1
[M+K]+ 265.07565 158.5
[M-H]- 225.10521 146.2
[M+Na-2H]- 247.08716 151.2
[M]+ 226.11194 149.5
[M]- 226.11304 149.5
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