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

4
Patents

220.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.145576 143.5
[M+Na]+ 243.127518 153.9
[M-H]- 219.131024 149.8
[M+NH4]+ 238.172123 163.0
[M+K]+ 259.101458 154.5
[M+H-H2O]+ 203.135560 137.5
[M+HCOO]- 265.136501 162.7
[M+CH3COO]- 279.152151 188.3
[M+Na-2H]- 241.112966 150.3
[M]+ 220.13775142 146.9
[M]- 220.13884858 146.9
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