CID 79880613

1609578-56-4

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

C1CNCCC1=CC2=CC=CS2

InChI

InChI=1S/C10H13NS/c1-2-10(12-7-1)8-9-3-5-11-6-4-9/h1-2,7-8,11H,3-6H2

InChIKey

AHPCEMXXUDAIHC-UHFFFAOYSA-N

Compound name

4-(thiophen-2-ylmethylidene)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.07687 Da
Monoisotopic Mass: 1.8
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]+	180.084146	139.2
[M+Na]+	202.066088	145.2
[M-H]-	178.069594	142.7
[M+NH4]+	197.110693	159.3
[M+K]+	218.040028	141.0
[M+H-H2O]+	162.074130	132.8
[M+HCOO]-	224.075071	153.9
[M+CH3COO]-	238.090721	151.0
[M+Na-2H]-	200.051536	140.0
[M]+	179.07632142	133.8
[M]-	179.07741858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.