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

99
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.176876 153.6
[M+Na]+ 271.158818 162.4
[M-H]- 247.162324 160.0
[M+NH4]+ 266.203423 174.4
[M+K]+ 287.132758 162.1
[M+H-H2O]+ 231.166860 147.7
[M+HCOO]- 293.167801 169.7
[M+CH3COO]- 307.183451 166.4
[M+Na-2H]- 269.144266 156.9
[M]+ 248.16905142 154.3
[M]- 248.17014858 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