CID 14144333

Ethyl 2-amino-5-methyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CCOC(=O)C1=C(NC(=C1)C)N

InChI

InChI=1S/C8H12N2O2/c1-3-12-8(11)6-4-5(2)10-7(6)9/h4,10H,3,9H2,1-2H3

InChIKey

CUBCXZWPAGUJPA-UHFFFAOYSA-N

Compound name

ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 168.08987 Da
Monoisotopic Mass: 1.5
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]+	169.09715	136.3
[M+Na]+	191.07909	145.5
[M+NH4]+	186.12369	142.9
[M+K]+	207.05303	143.4
[M-H]-	167.08259	136.0
[M+Na-2H]-	189.06454	139.6
[M]+	168.08932	137.1
[M]-	168.09042	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe