CID 44119518

1218790-54-5

Structural Information

Molecular Formula
C11H14BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NON=C3N=C2
InChI
InChI=1S/C11H14BN3O3/c1-10(2)11(3,4)17-12(16-10)7-5-8-9(13-6-7)15-18-14-8/h5-6H,1-4H3
InChIKey
WWVCWPSNDSQGJQ-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

247.11282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12010 147.4
[M+Na]+ 270.10204 160.2
[M-H]- 246.10554 154.5
[M+NH4]+ 265.14664 165.8
[M+K]+ 286.07598 161.2
[M+H-H2O]+ 230.11008 141.3
[M+HCOO]- 292.11102 166.3
[M+CH3COO]- 306.12667 161.9
[M+Na-2H]- 268.08749 154.7
[M]+ 247.11227 154.3
[M]- 247.11337 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