CID 101516781

1233237-93-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CCOC(=O)C1=C(NC2=C1C=NC=C2)C

InChI

InChI=1S/C11H12N2O2/c1-3-15-11(14)10-7(2)13-9-4-5-12-6-8(9)10/h4-6,13H,3H2,1-2H3

InChIKey

YTJSIWPRJRFNGA-UHFFFAOYSA-N

Compound name

ethyl 2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 1.6
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]+	205.097146	143.3
[M+Na]+	227.079088	153.7
[M-H]-	203.082594	144.7
[M+NH4]+	222.123693	162.4
[M+K]+	243.053028	150.3
[M+H-H2O]+	187.087130	136.5
[M+HCOO]-	249.088071	164.9
[M+CH3COO]-	263.103721	182.9
[M+Na-2H]-	225.064536	148.9
[M]+	204.08932142	146.4
[M]-	204.09041858	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.