CID 72213457

2368225-26-5

Structural Information

Molecular Formula
C11H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NN2)C)C
InChI
InChI=1S/C11H19BN2O2/c1-7-8(2)13-14-9(7)12-15-10(3,4)11(5,6)16-12/h1-6H3,(H,13,14)
InChIKey
QILLAYFMFSNWPG-UHFFFAOYSA-N
Compound name
3,4-dimethyl-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

5
Patents

222.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16124 146.4
[M+Na]+ 245.14318 157.4
[M+NH4]+ 240.18778 156.2
[M+K]+ 261.11712 153.6
[M-H]- 221.14668 149.9
[M+Na-2H]- 243.12863 152.3
[M]+ 222.15341 149.2
[M]- 222.15451 149.2
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