CID 6428844

5-propionyl-2,3-dihydro-1h-pyrrolizine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CCC(=O)C1=CC=C2N1CCC2

InChI

InChI=1S/C10H13NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h5-6H,2-4,7H2,1H3

InChIKey

WOCOJSXECLIQIX-UHFFFAOYSA-N

Compound name

1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.09972 Da
Monoisotopic Mass: 1.5
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	136.9
[M+Na]+	186.08894	145.0
[M-H]-	162.09244	140.2
[M+NH4]+	181.13354	160.9
[M+K]+	202.06288	143.2
[M+H-H2O]+	146.09698	131.2
[M+HCOO]-	208.09792	159.2
[M+CH3COO]-	222.11357	178.3
[M+Na-2H]-	184.07439	139.6
[M]+	163.09917	137.0
[M]-	163.10027	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe