CID 165700039

4-{1h-pyrrolo[2,3-b]pyridin-3-yl}butanoic acid

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1=CC2=C(NC=C2CCCC(=O)O)N=C1
InChI
InChI=1S/C11H12N2O2/c14-10(15)5-1-3-8-7-13-11-9(8)4-2-6-12-11/h2,4,6-7H,1,3,5H2,(H,12,13)(H,14,15)
InChIKey
SDNKQPDFZPDDLZ-UHFFFAOYSA-N
Compound name
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.6
[M+Na]+ 227.07909 152.5
[M-H]- 203.08259 143.2
[M+NH4]+ 222.12369 161.5
[M+K]+ 243.05303 148.2
[M+H-H2O]+ 187.08713 136.7
[M+HCOO]- 249.08807 163.6
[M+CH3COO]- 263.10372 179.9
[M+Na-2H]- 225.06454 149.5
[M]+ 204.08932 144.4
[M]- 204.09042 144.4
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

No patent data available for this compound.