CID 46739812

947533-31-5

Structural Information

Molecular Formula
C10H17BN2O4
SMILES
B(C1=C(N(N=C1C)C(=O)OC(C)(C)C)C)(O)O
InChI
InChI=1S/C10H17BN2O4/c1-6-8(11(15)16)7(2)13(12-6)9(14)17-10(3,4)5/h15-16H,1-5H3
InChIKey
QOJROSVHDGVEAI-UHFFFAOYSA-N
Compound name
[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

240.12814 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13542 154.2
[M+Na]+ 263.11736 162.4
[M+NH4]+ 258.16196 158.3
[M+K]+ 279.09130 163.0
[M-H]- 239.12086 150.6
[M+Na-2H]- 261.10281 155.0
[M]+ 240.12759 153.9
[M]- 240.12869 153.9
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