CID 246835

1-(pyrrolidin-1-yl)hexan-1-one

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CCCCCC(=O)N1CCCC1

InChI

InChI=1S/C10H19NO/c1-2-3-4-7-10(12)11-8-5-6-9-11/h2-9H2,1H3

InChIKey

PGMGOZXFOTVSIX-UHFFFAOYSA-N

Compound name

1-pyrrolidin-1-ylhexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 37
Patents: 169.14667 Da
Monoisotopic Mass: 2.1
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]+	170.15395	142.0
[M+Na]+	192.13589	150.9
[M+NH4]+	187.18049	149.8
[M+K]+	208.10983	146.6
[M-H]-	168.13939	142.2
[M+Na-2H]-	190.12134	145.3
[M]+	169.14612	143.0
[M]-	169.14722	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe