CID 72220988

1558927-10-8

Structural Information

Molecular Formula
C13H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC3=C2N=CC=C3
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-8-16-10-6-5-7-15-11(9)10/h5-8,16H,1-4H3
InChIKey
GXWUKWMFSGHGOQ-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14558 150.3
[M+Na]+ 267.12752 163.5
[M+NH4]+ 262.17212 161.2
[M+K]+ 283.10146 158.2
[M-H]- 243.13102 155.1
[M+Na-2H]- 265.11297 157.9
[M]+ 244.13775 153.9
[M]- 244.13885 153.9
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.