CID 3072572

Crl 41696

Structural Information

Molecular Formula

C₁₃H₁₉NOS

SMILES

C1CCN(CC1)CCCC(=O)C2=CC=CS2

InChI

InChI=1S/C13H19NOS/c15-12(13-7-5-11-16-13)6-4-10-14-8-2-1-3-9-14/h5,7,11H,1-4,6,8-10H2

InChIKey

XLFPVLARWTXBTF-UHFFFAOYSA-N

Compound name

4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.11873 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]+	238.12601	155.5
[M+Na]+	260.10795	165.3
[M+NH4]+	255.15255	164.4
[M+K]+	276.08189	158.1
[M-H]-	236.11145	158.5
[M+Na-2H]-	258.09340	160.7
[M]+	237.11818	158.0
[M]-	237.11928	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe