CID 70701162

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4h,5h,6h,7h-pyrazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CCCCN3N=C2
InChI
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-9-15-16-8-6-5-7-11(10)16/h9H,5-8H2,1-4H3
InChIKey
CGAYURSTZWQWLD-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17688 153.6
[M+Na]+ 271.15882 162.4
[M-H]- 247.16232 160.0
[M+NH4]+ 266.20342 174.4
[M+K]+ 287.13276 162.1
[M+H-H2O]+ 231.16686 147.7
[M+HCOO]- 293.16780 169.7
[M+CH3COO]- 307.18345 166.4
[M+Na-2H]- 269.14427 156.9
[M]+ 248.16905 154.3
[M]- 248.17015 154.3
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