CID 45787281

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

Structural Information

Molecular Formula
C10H15BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=NC=C2
InChI
InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-6-12-13-7-8/h5-7H,1-4H3
InChIKey
GVGODOIZAKSPFC-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

206.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12995 139.8
[M+Na]+ 229.11189 149.7
[M-H]- 205.11539 145.8
[M+NH4]+ 224.15649 159.5
[M+K]+ 245.08583 150.6
[M+H-H2O]+ 189.11993 133.5
[M+HCOO]- 251.12087 159.3
[M+CH3COO]- 265.13652 184.1
[M+Na-2H]- 227.09734 147.6
[M]+ 206.12212 142.4
[M]- 206.12322 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe