CID 44118675

1188405-87-9

Structural Information

Molecular Formula
C8H13BN2O4
SMILES
B(C1=CN(N=C1)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-5-6(4-10-11)9(13)14/h4-5,13-14H,1-3H3
InChIKey
IUEPVMMFUSDDBJ-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

212.09683 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10411 145.5
[M+Na]+ 235.08605 153.4
[M+NH4]+ 230.13065 150.0
[M+K]+ 251.05999 154.1
[M-H]- 211.08955 141.9
[M+Na-2H]- 233.07150 147.3
[M]+ 212.09628 145.1
[M]- 212.09738 145.1
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