CID 3024979

97635-24-0

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CC1=CC=C(C=C1)C(=O)CCN2CCCC2

InChI

InChI=1S/C14H19NO/c1-12-4-6-13(7-5-12)14(16)8-11-15-9-2-3-10-15/h4-7H,2-3,8-11H2,1H3

InChIKey

KKCZPVROBRXZKM-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 217.14667 Da
Monoisotopic Mass: 2.4
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]+	218.15395	152.5
[M+Na]+	240.13589	163.9
[M+NH4]+	235.18049	160.9
[M+K]+	256.10983	158.5
[M-H]-	216.13939	155.5
[M+Na-2H]-	238.12134	158.8
[M]+	217.14612	154.8
[M]-	217.14722	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe