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

71
Patents

162.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06734 129.2
[M+Na]+ 185.04928 138.9
[M-H]- 161.05278 128.0
[M+NH4]+ 180.09388 148.3
[M+K]+ 201.02322 135.1
[M+H-H2O]+ 145.05732 123.2
[M+HCOO]- 207.05826 148.7
[M+CH3COO]- 221.07391 142.2
[M+Na-2H]- 183.03473 136.5
[M]+ 162.05951 127.9
[M]- 162.06061 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe