CID 9815415

628730-30-3

Structural Information

Molecular Formula

C₉H₁₂N₂S

SMILES

C1C=CCC1CC2=CNC(=S)N2

InChI

InChI=1S/C9H12N2S/c12-9-10-6-8(11-9)5-7-3-1-2-4-7/h1-2,6-7H,3-5H2,(H2,10,11,12)

InChIKey

FOOHYFUHXGIXNK-UHFFFAOYSA-N

Compound name

4-(cyclopent-3-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 180.07211 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]+	181.07939	138.8
[M+Na]+	203.06133	147.8
[M-H]-	179.06483	141.0
[M+NH4]+	198.10593	159.2
[M+K]+	219.03527	143.0
[M+H-H2O]+	163.06937	132.6
[M+HCOO]-	225.07031	154.7
[M+CH3COO]-	239.08596	151.3
[M+Na-2H]-	201.04678	138.1
[M]+	180.07156	136.0
[M]-	180.07266	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe