CID 49758472

6-(tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C13H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN3C=CN=C3C=C2
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10/h5-9H,1-4H3
InChIKey
BKLKKLAXVIBXDW-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

244.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14558 149.1
[M+Na]+ 267.12752 161.1
[M-H]- 243.13102 156.8
[M+NH4]+ 262.17212 170.5
[M+K]+ 283.10146 160.3
[M+H-H2O]+ 227.13556 143.2
[M+HCOO]- 289.13650 169.6
[M+CH3COO]- 303.15215 163.7
[M+Na-2H]- 265.11297 155.3
[M]+ 244.13775 154.2
[M]- 244.13885 154.2
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