CID 72213458

1440520-87-5

Structural Information

Molecular Formula
C10H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2)C
InChI
InChI=1S/C10H17BN2O2/c1-7-6-12-13-8(7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)
InChIKey
HQYVEZWZGLCNIU-UHFFFAOYSA-N
Compound name
4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

208.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14558 140.3
[M+Na]+ 231.12752 150.4
[M-H]- 207.13102 145.3
[M+NH4]+ 226.17212 161.3
[M+K]+ 247.10146 150.4
[M+H-H2O]+ 191.13556 135.8
[M+HCOO]- 253.13650 159.0
[M+CH3COO]- 267.15215 183.2
[M+Na-2H]- 229.11297 144.8
[M]+ 208.13775 142.2
[M]- 208.13885 142.2
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