CID 44118298

1167418-13-4

Structural Information

Molecular Formula
C14H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=CN=C3C=C2
InChI
InChI=1S/C14H17BN2O2/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-12(9-10)17-8-7-16-11/h5-9H,1-4H3
InChIKey
ZYWICCYXTGRUNM-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

256.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14558 155.0
[M+Na]+ 279.12752 165.7
[M-H]- 255.13102 162.0
[M+NH4]+ 274.17212 173.9
[M+K]+ 295.10146 164.8
[M+H-H2O]+ 239.13556 147.5
[M+HCOO]- 301.13650 172.9
[M+CH3COO]- 315.15215 168.3
[M+Na-2H]- 277.11297 162.2
[M]+ 256.13775 158.1
[M]- 256.13885 158.1
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