CID 145867418

3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]oxazolo[5,4-b]pyridine

Structural Information

Molecular Formula
C13H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)ON=C3C
InChI
InChI=1S/C13H17BN2O3/c1-8-10-6-9(7-15-11(10)17-16-8)14-18-12(2,3)13(4,5)19-14/h6-7H,1-5H3
InChIKey
JXHAIIYYTWWGBP-UHFFFAOYSA-N
Compound name
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14048 151.7
[M+Na]+ 283.12242 164.6
[M-H]- 259.12592 160.4
[M+NH4]+ 278.16702 171.4
[M+K]+ 299.09636 165.3
[M+H-H2O]+ 243.13046 146.7
[M+HCOO]- 305.13140 171.4
[M+CH3COO]- 319.14705 166.6
[M+Na-2H]- 281.10787 158.0
[M]+ 260.13265 159.3
[M]- 260.13375 159.3
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

No patent data available for this compound.