CID 11806939

144657-66-9

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)C=O

InChI

InChI=1S/C13H14N2O3/c1-13(2,3)18-12(17)15-7-9(8-16)10-5-4-6-14-11(10)15/h4-8H,1-3H3

InChIKey

GFZQRKMUXOECFL-UHFFFAOYSA-N

Compound name

tert-butyl 3-formylpyrrolo[2,3-b]pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 246.10045 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.10773	154.3
[M+Na]+	269.08967	166.6
[M+NH4]+	264.13427	160.6
[M+K]+	285.06361	163.6
[M-H]-	245.09317	153.6
[M+Na-2H]-	267.07512	159.2
[M]+	246.09990	155.7
[M]-	246.10100	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe