CID 46872199

1239481-05-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

literature stripe

Patent stripe

patents stripe