CID 2773439

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

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CCOC(=O)C1=C(C=CN1)N

InChI

InChI=1S/C7H10N2O2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2,8H2,1H3

InChIKey

SPNDLEQTZLQLTA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 333
Patents: 154.07423 Da
Monoisotopic Mass: 1.1
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]+	155.08151	132.1
[M+Na]+	177.06345	141.1
[M+NH4]+	172.10805	138.8
[M+K]+	193.03739	139.0
[M-H]-	153.06695	131.8
[M+Na-2H]-	175.04890	135.9
[M]+	154.07368	132.8
[M]-	154.07478	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe