CID 178190066

Methyl 1-bromo-5,6,7,8-tetrahydroindolizine-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

COC(=O)C1=CC(=C2N1CCCC2)Br

InChI

InChI=1S/C10H12BrNO2/c1-14-10(13)9-6-7(11)8-4-2-3-5-12(8)9/h6H,2-5H2,1H3

InChIKey

XVYCHZMUUVBYPS-UHFFFAOYSA-N

Compound name

methyl 1-bromo-5,6,7,8-tetrahydroindolizine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.00513 Da
Monoisotopic Mass: 2.3
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]+	258.012406	151.2
[M+Na]+	279.994348	162.5
[M-H]-	255.997854	157.0
[M+NH4]+	275.038953	173.5
[M+K]+	295.968288	152.4
[M+H-H2O]+	240.002390	151.4
[M+HCOO]-	302.003331	169.3
[M+CH3COO]-	316.018981	190.7
[M+Na-2H]-	277.979796	155.8
[M]+	257.00458142	169.5
[M]-	257.00567858	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.