CID 6429128

97073-03-5

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1=C2CCCN2C(=C1C)C(=O)C

InChI

InChI=1S/C11H15NO/c1-7-8(2)11(9(3)13)12-6-4-5-10(7)12/h4-6H2,1-3H3

InChIKey

DFFVSJCTDBAPFY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.11537 Da
Monoisotopic Mass: 1.8
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]+	178.12265	139.7
[M+Na]+	200.10459	150.3
[M+NH4]+	195.14919	148.4
[M+K]+	216.07853	148.2
[M-H]-	176.10809	140.5
[M+Na-2H]-	198.09004	142.7
[M]+	177.11482	141.2
[M]-	177.11592	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe