CID 102306518

1415312-45-6

Structural Information

Molecular Formula
C13H22BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(N=C2)C3CCCCO3
InChI
InChI=1S/C13H22BN3O3/c1-12(2)13(3,4)20-14(19-12)10-9-15-17(16-10)11-7-5-6-8-18-11/h9,11H,5-8H2,1-4H3
InChIKey
RJLKRDFOUAYHQS-UHFFFAOYSA-N
Compound name
2-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

279.1754 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18268 159.8
[M+Na]+ 302.16462 167.3
[M-H]- 278.16812 167.3
[M+NH4]+ 297.20922 175.0
[M+K]+ 318.13856 168.9
[M+H-H2O]+ 262.17266 152.7
[M+HCOO]- 324.17360 173.9
[M+CH3COO]- 338.18925 171.5
[M+Na-2H]- 300.15007 161.7
[M]+ 279.17485 160.3
[M]- 279.17595 160.3
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