CID 6428845

5-acetyl-6-methyl-2,3-dihydro-1h-pyrrolizine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=C(N2CCCC2=C1)C(=O)C

InChI

InChI=1S/C10H13NO/c1-7-6-9-4-3-5-11(9)10(7)8(2)12/h6H,3-5H2,1-2H3

InChIKey

FEOYYZKCVVLICI-UHFFFAOYSA-N

Compound name

1-(2-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 163.09972 Da
Monoisotopic Mass: 1.4
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]+	164.10700	136.2
[M+Na]+	186.08894	145.3
[M-H]-	162.09244	139.9
[M+NH4]+	181.13354	160.5
[M+K]+	202.06288	143.4
[M+H-H2O]+	146.09698	131.0
[M+HCOO]-	208.09792	158.5
[M+CH3COO]-	222.11357	179.4
[M+Na-2H]-	184.07439	138.4
[M]+	163.09917	136.7
[M]-	163.10027	136.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.