CID 57416472

2-oxo-2,3-dihydro-1h-pyrrolo[2,3-b]pyridin-5-ylboronic acid

Structural Information

Molecular Formula
C7H7BN2O3
SMILES
B(C1=CC2=C(NC(=O)C2)N=C1)(O)O
InChI
InChI=1S/C7H7BN2O3/c11-6-2-4-1-5(8(12)13)3-9-7(4)10-6/h1,3,12-13H,2H2,(H,9,10,11)
InChIKey
AUXRTOOHRROMLP-UHFFFAOYSA-N
Compound name
(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

178.05498 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.062256 134.1
[M+Na]+ 201.044198 142.7
[M-H]- 177.047704 132.4
[M+NH4]+ 196.088803 152.4
[M+K]+ 217.018138 139.4
[M+H-H2O]+ 161.052240 128.2
[M+HCOO]- 223.053181 151.0
[M+CH3COO]- 237.068831 171.8
[M+Na-2H]- 199.029646 138.7
[M]+ 178.05443142 131.0
[M]- 178.05552858 131.0
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