CID 1484967

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

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(C)(C)C1=CC2=C(N1)N=CC=C2
InChI
InChI=1S/C11H14N2/c1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h4-7H,1-3H3,(H,12,13)
InChIKey
ZUVOATWKIJYDMN-UHFFFAOYSA-N
Compound name
2-tert-butyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

174.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 137.8
[M+Na]+ 197.10491 151.4
[M+NH4]+ 192.14951 146.6
[M+K]+ 213.07885 146.6
[M-H]- 173.10841 138.9
[M+Na-2H]- 195.09036 144.8
[M]+ 174.11514 140.1
[M]- 174.11624 140.1
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