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 144.0
[M+Na]+ 227.07909 156.0
[M+NH4]+ 222.12369 151.0
[M+K]+ 243.05303 152.1
[M-H]- 203.08259 143.6
[M+Na-2H]- 225.06454 148.9
[M]+ 204.08932 145.3
[M]- 204.09042 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.