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

43
Patents

208.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.145576 140.3
[M+Na]+ 231.127518 150.4
[M-H]- 207.131024 145.3
[M+NH4]+ 226.172123 161.3
[M+K]+ 247.101458 150.4
[M+H-H2O]+ 191.135560 135.8
[M+HCOO]- 253.136501 159.0
[M+CH3COO]- 267.152151 183.2
[M+Na-2H]- 229.112966 144.8
[M]+ 208.13775142 142.2
[M]- 208.13884858 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