CID 17750270

936250-20-3

Structural Information

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

771
Patents

208.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14558 142.5
[M+Na]+ 231.12752 153.4
[M+NH4]+ 226.17212 152.4
[M+K]+ 247.10146 149.5
[M-H]- 207.13102 146.0
[M+Na-2H]- 229.11297 148.8
[M]+ 208.13775 145.2
[M]- 208.13885 145.2
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