CID 3056611

73812-42-7

Structural Information

Molecular Formula

C₁₁H₁₅NOS

SMILES

CC1CCCC1(C2=CSC=C2)C(=O)N

InChI

InChI=1S/C11H15NOS/c1-8-3-2-5-11(8,10(12)13)9-4-6-14-7-9/h4,6-8H,2-3,5H2,1H3,(H2,12,13)

InChIKey

WLCBLDVPKPQCSC-UHFFFAOYSA-N

Compound name

2-methyl-1-thiophen-3-ylcyclopentane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.08743 Da
Monoisotopic Mass: 2.3
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]+	210.094706	148.0
[M+Na]+	232.076648	155.3
[M-H]-	208.080154	154.6
[M+NH4]+	227.121253	172.3
[M+K]+	248.050588	152.5
[M+H-H2O]+	192.084690	143.3
[M+HCOO]-	254.085631	166.7
[M+CH3COO]-	268.101281	184.6
[M+Na-2H]-	230.062096	146.9
[M]+	209.08688142	146.6
[M]-	209.08797858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.