CID 130115008

1807699-61-1

Structural Information

Molecular Formula
C13H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)OCC3
InChI
InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-16-11(9)15-8-10/h7-8H,5-6H2,1-4H3
InChIKey
SOAVATYBFUPDEV-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrofuro[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

247.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14525 150.5
[M+Na]+ 270.12719 160.4
[M-H]- 246.13069 159.3
[M+NH4]+ 265.17179 171.5
[M+K]+ 286.10113 161.4
[M+H-H2O]+ 230.13523 146.3
[M+HCOO]- 292.13617 168.5
[M+CH3COO]- 306.15182 164.6
[M+Na-2H]- 268.11264 156.0
[M]+ 247.13742 154.3
[M]- 247.13852 154.3
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