CID 16119965

662138-96-7

Structural Information

Molecular Formula
C15H17BN2O2
SMILES
B1(OCCN(CCO1)C2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C15H17BN2O2/c1-2-6-14(7-3-1)18-10-12-19-16(20-13-11-18)15-8-4-5-9-17-15/h1-9H,10-13H2
InChIKey
QDIQDVHNUYDVDD-UHFFFAOYSA-N
Compound name
6-phenyl-2-pyridin-2-yl-1,3,6,2-dioxazaborocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

268.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14558 154.7
[M+Na]+ 291.12752 159.5
[M+NH4]+ 286.17212 157.4
[M+K]+ 307.10146 158.3
[M-H]- 267.13102 157.3
[M+Na-2H]- 289.11297 158.7
[M]+ 268.13775 156.1
[M]- 268.13885 156.1
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