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: 13
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	146.7
[M+Na]+	275.96307	150.8
[M+NH4]+	271.00767	151.6
[M+K]+	291.93701	152.1
[M-H]-	251.96657	146.7
[M+Na-2H]-	273.94852	149.8
[M]+	252.97330	146.1
[M]-	252.97440	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe