CID 59534722

1220696-34-3

Structural Information

Molecular Formula
C14H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(C=C3)C
InChI
InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-8-10-6-7-17(5)12(10)16-9-11/h6-9H,1-5H3
InChIKey
HQQDRRKOLDTGHY-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

258.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16124 153.8
[M+Na]+ 281.14318 167.7
[M+NH4]+ 276.18778 164.8
[M+K]+ 297.11712 162.1
[M-H]- 257.14668 159.2
[M+Na-2H]- 279.12863 161.6
[M]+ 258.15341 157.8
[M]- 258.15451 157.8
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