CID 52180862

Methyl 6-bromoindolizine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

COC(=O)C1=CN2C=C(C=CC2=C1)Br

InChI

InChI=1S/C10H8BrNO2/c1-14-10(13)7-4-9-3-2-8(11)6-12(9)5-7/h2-6H,1H3

InChIKey

LYYYHGGXOLUMEM-UHFFFAOYSA-N

Compound name

methyl 6-bromoindolizine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 252.97385 Da
Monoisotopic Mass: 3.0
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]+	253.98113	145.6
[M+Na]+	275.96307	159.7
[M-H]-	251.96657	152.5
[M+NH4]+	271.00767	168.3
[M+K]+	291.93701	149.2
[M+H-H2O]+	235.97111	145.8
[M+HCOO]-	297.97205	167.8
[M+CH3COO]-	311.98770	189.8
[M+Na-2H]-	273.94852	153.1
[M]+	252.97330	168.0
[M]-	252.97440	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe