CID 55272645

2-(3-methylbutyl)-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C12H16N2
SMILES
CC(C)CCC1=CC2=C(N1)N=CC=C2
InChI
InChI=1S/C12H16N2/c1-9(2)5-6-11-8-10-4-3-7-13-12(10)14-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14)
InChIKey
XBGGOCFKYZBURE-UHFFFAOYSA-N
Compound name
2-(3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

188.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.2
[M+Na]+ 211.12057 155.5
[M+NH4]+ 206.16517 150.9
[M+K]+ 227.09451 150.0
[M-H]- 187.12407 143.5
[M+Na-2H]- 209.10602 148.6
[M]+ 188.13080 144.4
[M]- 188.13190 144.4
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.