CID 155820687

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C11H15BN4O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN3C(=NC=N3)N=C2
InChI
InChI=1S/C11H15BN4O2/c1-10(2)11(3,4)18-12(17-10)8-5-13-9-14-7-15-16(9)6-8/h5-7H,1-4H3
InChIKey
HTTJYHQQHKUXCP-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13608 148.9
[M+Na]+ 269.11802 161.6
[M-H]- 245.12152 154.0
[M+NH4]+ 264.16262 167.2
[M+K]+ 285.09196 161.1
[M+H-H2O]+ 229.12606 141.3
[M+HCOO]- 291.12700 167.3
[M+CH3COO]- 305.14265 162.7
[M+Na-2H]- 267.10347 155.2
[M]+ 246.12825 154.2
[M]- 246.12935 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

No patent data available for this compound.