CID 69247748

Alpha-pyrrolidinononanophenone

Structural Information

Molecular Formula

C₁₉H₂₉NO

SMILES

CCCCCCCC(C(=O)C1=CC=CC=C1)N2CCCC2

InChI

InChI=1S/C19H29NO/c1-2-3-4-5-9-14-18(20-15-10-11-16-20)19(21)17-12-7-6-8-13-17/h6-8,12-13,18H,2-5,9-11,14-16H2,1H3

InChIKey

RYJXAZXFWIWTOJ-UHFFFAOYSA-N

Compound name

1-phenyl-2-pyrrolidin-1-ylnonan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 15
Patents: 287.2249 Da
Monoisotopic Mass: 5.6
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]+	288.23218	175.4
[M+Na]+	310.21412	177.3
[M-H]-	286.21762	178.7
[M+NH4]+	305.25872	190.7
[M+K]+	326.18806	173.6
[M+H-H2O]+	270.22216	166.5
[M+HCOO]-	332.22310	193.0
[M+CH3COO]-	346.23875	203.1
[M+Na-2H]-	308.19957	173.6
[M]+	287.22435	174.1
[M]-	287.22545	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe