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

0
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 142.7
[M+Na]+ 211.12057 151.5
[M-H]- 187.12407 143.4
[M+NH4]+ 206.16517 162.2
[M+K]+ 227.09451 147.4
[M+H-H2O]+ 171.12861 135.6
[M+HCOO]- 233.12955 163.3
[M+CH3COO]- 247.14520 182.2
[M+Na-2H]- 209.10602 148.4
[M]+ 188.13080 143.6
[M]- 188.13190 143.6
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.