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

255
Patents

212.09683 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.104106 145.5
[M+Na]+ 235.086048 153.0
[M-H]- 211.089554 144.4
[M+NH4]+ 230.130653 162.3
[M+K]+ 251.059988 152.5
[M+H-H2O]+ 195.094090 139.6
[M+HCOO]- 257.095031 162.8
[M+CH3COO]- 271.110681 179.6
[M+Na-2H]- 233.071496 148.5
[M]+ 212.09628142 146.8
[M]- 212.09737858 146.8
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