CID 2797481

104208-13-1

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

CN1CCN(C1C2=CC=CS2)C

InChI

InChI=1S/C9H14N2S/c1-10-5-6-11(2)9(10)8-4-3-7-12-8/h3-4,7,9H,5-6H2,1-2H3

InChIKey

HIHONCXGFIYIJX-UHFFFAOYSA-N

Compound name

1,3-dimethyl-2-thiophen-2-ylimidazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 182.08777 Da
Monoisotopic Mass: 1.4
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]+	183.095046	139.7
[M+Na]+	205.076988	149.2
[M-H]-	181.080494	144.7
[M+NH4]+	200.121593	161.8
[M+K]+	221.050928	147.1
[M+H-H2O]+	165.085030	133.3
[M+HCOO]-	227.085971	157.0
[M+CH3COO]-	241.101621	153.4
[M+Na-2H]-	203.062436	138.3
[M]+	182.08722142	140.3
[M]-	182.08831858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe