CID 57416890

1223598-41-1

Structural Information

Molecular Formula
C13H18BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CN=[N+]=[N-]
InChI
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)11-8-6-5-7-10(11)9-16-17-15/h5-8H,9H2,1-4H3
InChIKey
DWSJHXRRSHEEOE-UHFFFAOYSA-N
Compound name
2-[2-(azidomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15648 155.6
[M+Na]+ 282.13842 163.1
[M-H]- 258.14192 166.4
[M+NH4]+ 277.18302 175.8
[M+K]+ 298.11236 158.9
[M+H-H2O]+ 242.14646 154.1
[M+HCOO]- 304.14740 183.1
[M+CH3COO]- 318.16305 199.1
[M+Na-2H]- 280.12387 165.8
[M]+ 259.14865 156.4
[M]- 259.14975 156.4
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.