CID 132353764

2138114-65-3

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

COC(=O)C1=C2CCCCN2C(=C1)CN

InChI

InChI=1S/C11H16N2O2/c1-15-11(14)9-6-8(7-12)13-5-3-2-4-10(9)13/h6H,2-5,7,12H2,1H3

InChIKey

BHFHEIYSUOOREI-UHFFFAOYSA-N

Compound name

methyl 3-(aminomethyl)-5,6,7,8-tetrahydroindolizine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.12119 Da
Monoisotopic Mass: 0.1
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]+	209.128466	146.5
[M+Na]+	231.110408	153.3
[M-H]-	207.113914	149.0
[M+NH4]+	226.155013	166.6
[M+K]+	247.084348	151.1
[M+H-H2O]+	191.118450	140.0
[M+HCOO]-	253.119391	166.9
[M+CH3COO]-	267.135041	188.0
[M+Na-2H]-	229.095856	149.2
[M]+	208.12064142	144.8
[M]-	208.12173858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe