CID 417777

93480-76-3

Structural Information

Molecular Formula

C₁₁H₁₅NOS

SMILES

CC1(CC2=C(C1=O)C=CS2)CN(C)C

InChI

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

InChIKey

WBSYDCDKHPIOFZ-UHFFFAOYSA-N

Compound name

5-[(dimethylamino)methyl]-5-methyl-6H-cyclopenta[b]thiophen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.08743 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]+	210.094706	146.4
[M+Na]+	232.076648	155.9
[M-H]-	208.080154	153.1
[M+NH4]+	227.121253	173.3
[M+K]+	248.050588	154.2
[M+H-H2O]+	192.084690	142.5
[M+HCOO]-	254.085631	166.9
[M+CH3COO]-	268.101281	190.5
[M+Na-2H]-	230.062096	147.8
[M]+	209.08688142	150.9
[M]-	209.08797858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.