CID 118994077

4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

Structural Information

Molecular Formula
C11H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=NC=C2C
InChI
InChI=1S/C11H17BN2O2/c1-8-6-13-14-7-9(8)12-15-10(2,3)11(4,5)16-12/h6-7H,1-5H3
InChIKey
YBZWJSWSROUXSU-UHFFFAOYSA-N
Compound name
4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.14558 145.8
[M+Na]+ 243.12752 159.1
[M+NH4]+ 238.17212 156.3
[M+K]+ 259.10146 152.3
[M-H]- 219.13102 150.8
[M+Na-2H]- 241.11297 154.2
[M]+ 220.13775 149.5
[M]- 220.13885 149.5
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

No patent data available for this compound.