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

103
Patents

174.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 139.1
[M+Na]+ 197.104908 149.3
[M-H]- 173.108414 140.4
[M+NH4]+ 192.149513 159.6
[M+K]+ 213.078848 145.4
[M+H-H2O]+ 157.112950 133.0
[M+HCOO]- 219.113891 159.5
[M+CH3COO]- 233.129541 178.1
[M+Na-2H]- 195.090356 147.3
[M]+ 174.11514142 139.8
[M]- 174.11623858 139.8
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

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