CID 43132

59921-84-5

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CC1=CC=C(C=C1)C(=O)CCCN2CCCC2

InChI

InChI=1S/C15H21NO/c1-13-6-8-14(9-7-13)15(17)5-4-12-16-10-2-3-11-16/h6-9H,2-5,10-12H2,1H3

InChIKey

RZUTUYJHPNNWMF-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-4-pyrrolidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.16231 Da
Monoisotopic Mass: 2.8
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]+	232.169586	156.3
[M+Na]+	254.151528	161.2
[M-H]-	230.155034	160.7
[M+NH4]+	249.196133	174.3
[M+K]+	270.125468	158.0
[M+H-H2O]+	214.159570	148.4
[M+HCOO]-	276.160511	176.3
[M+CH3COO]-	290.176161	191.4
[M+Na-2H]-	252.136976	157.3
[M]+	231.16176142	154.6
[M]-	231.16285858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe