CID 53217310

1350543-95-1

Structural Information

Molecular Formula
C11H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN=C2)C
InChI
InChI=1S/C11H17BN2O2/c1-8-6-9(7-13-14-8)12-15-10(2,3)11(4,5)16-12/h6-7H,1-5H3
InChIKey
MQWXDVWVTXQWQR-UHFFFAOYSA-N
Compound name
3-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

226
Patents

220.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.14558 143.5
[M+Na]+ 243.12752 153.9
[M-H]- 219.13102 149.8
[M+NH4]+ 238.17212 163.0
[M+K]+ 259.10146 154.5
[M+H-H2O]+ 203.13556 137.5
[M+HCOO]- 265.13650 162.7
[M+CH3COO]- 279.15215 188.3
[M+Na-2H]- 241.11297 150.3
[M]+ 220.13775 146.9
[M]- 220.13885 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