CID 49758994

1246761-84-1

Structural Information

Molecular Formula

C₇H₇BN₂O₂

SMILES

B(C1=C2C=CNC2=NC=C1)(O)O

InChI

InChI=1S/C7H7BN2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4,11-12H,(H,9,10)

InChIKey

DPSPGIZCHXNPRZ-UHFFFAOYSA-N

Compound name

1H-pyrrolo[2,3-b]pyridin-4-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 162.06006 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.06734	130.1
[M+Na]+	185.04928	142.1
[M+NH4]+	180.09388	137.6
[M+K]+	201.02322	139.5
[M-H]-	161.05278	129.5
[M+Na-2H]-	183.03473	135.4
[M]+	162.05951	131.4
[M]-	162.06061	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe