CID 58423493

Methyl 1-amino-4-bromo-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula

C₆H₇BrN₂O₂

SMILES

COC(=O)C1=CC(=CN1N)Br

InChI

InChI=1S/C6H7BrN2O2/c1-11-6(10)5-2-4(7)3-9(5)8/h2-3H,8H2,1H3

InChIKey

ACXDDRPCBGQPBV-UHFFFAOYSA-N

Compound name

methyl 1-amino-4-bromopyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 217.96909 Da
Monoisotopic Mass: 1.8
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]+	218.97637	141.9
[M+Na]+	240.95831	142.8
[M+NH4]+	236.00291	145.4
[M+K]+	256.93225	146.0
[M-H]-	216.96181	140.7
[M+Na-2H]-	238.94376	142.9
[M]+	217.96854	140.2
[M]-	217.96964	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe