CID 24261094

1185364-37-7

Structural Information

Molecular Formula

C₁₀H₁₃NOS

SMILES

C1CC(CNC1)C(=O)C2=CC=CS2

InChI

InChI=1S/C10H13NOS/c12-10(9-4-2-6-13-9)8-3-1-5-11-7-8/h2,4,6,8,11H,1,3,5,7H2

InChIKey

OXBHNXNHYVNYTJ-UHFFFAOYSA-N

Compound name

piperidin-3-yl(thiophen-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 195.0718 Da
Monoisotopic Mass: 1.6
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]+	196.079076	143.0
[M+Na]+	218.061018	148.4
[M-H]-	194.064524	146.5
[M+NH4]+	213.105623	162.2
[M+K]+	234.034958	145.1
[M+H-H2O]+	178.069060	136.6
[M+HCOO]-	240.070001	156.9
[M+CH3COO]-	254.085651	154.5
[M+Na-2H]-	216.046466	142.9
[M]+	195.07125142	138.5
[M]-	195.07234858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe