CID 59620071

1257553-99-3

Structural Information

Molecular Formula
C12H17BN4O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(N=N3)C
InChI
InChI=1S/C12H17BN4O2/c1-11(2)12(3,4)19-13(18-11)8-6-9-10(14-7-8)17(5)16-15-9/h6-7H,1-5H3
InChIKey
NEIMNDYMUDPGHH-UHFFFAOYSA-N
Compound name
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

260.14447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15175 153.2
[M+Na]+ 283.13369 166.4
[M-H]- 259.13719 158.6
[M+NH4]+ 278.17829 171.4
[M+K]+ 299.10763 165.6
[M+H-H2O]+ 243.14173 145.9
[M+HCOO]- 305.14267 171.3
[M+CH3COO]- 319.15832 167.0
[M+Na-2H]- 281.11914 158.4
[M]+ 260.14392 159.3
[M]- 260.14502 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

patents stripe