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

32
Patents

178.05498 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06226 134.1
[M+Na]+ 201.04420 142.7
[M-H]- 177.04770 132.4
[M+NH4]+ 196.08880 152.4
[M+K]+ 217.01814 139.4
[M+H-H2O]+ 161.05224 128.2
[M+HCOO]- 223.05318 151.0
[M+CH3COO]- 237.06883 171.8
[M+Na-2H]- 199.02965 138.7
[M]+ 178.05443 131.0
[M]- 178.05553 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