CID 66545190

181283-92-1

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

CCOC(=O)C1=C(C2=C(N1C)N=CC=C2)N

InChI

InChI=1S/C11H13N3O2/c1-3-16-11(15)9-8(12)7-5-4-6-13-10(7)14(9)2/h4-6H,3,12H2,1-2H3

InChIKey

DQURKRQUKCMFCN-UHFFFAOYSA-N

Compound name

ethyl 3-amino-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 219.10077 Da
Monoisotopic Mass: 1.7
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]+	220.10805	147.1
[M+Na]+	242.08999	157.9
[M-H]-	218.09349	149.8
[M+NH4]+	237.13459	166.0
[M+K]+	258.06393	155.0
[M+H-H2O]+	202.09803	140.0
[M+HCOO]-	264.09897	170.6
[M+CH3COO]-	278.11462	191.0
[M+Na-2H]-	240.07544	152.0
[M]+	219.10022	150.7
[M]-	219.10132	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe