CID 14104599

Methyl 1-amino-1h-pyrrole-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

COC(=O)C1=CC=CN1N

InChI

InChI=1S/C6H8N2O2/c1-10-6(9)5-3-2-4-8(5)7/h2-4H,7H2,1H3

InChIKey

OGSXCPFDMJGEDQ-UHFFFAOYSA-N

Compound name

methyl 1-aminopyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 140.05858 Da
Monoisotopic Mass: 1.2
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]+	141.06586	127.2
[M+Na]+	163.04780	137.0
[M+NH4]+	158.09240	134.5
[M+K]+	179.02174	134.8
[M-H]-	139.05130	127.5
[M+Na-2H]-	161.03325	131.9
[M]+	140.05803	128.3
[M]-	140.05913	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe