CID 81756

86240-40-6

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

CCSC1=NCCN1

InChI

InChI=1S/C5H10N2S/c1-2-8-5-6-3-4-7-5/h2-4H2,1H3,(H,6,7)

InChIKey

CSYAQCWITOMLMK-UHFFFAOYSA-N

Compound name

2-ethylsulfanyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 130.05647 Da
Monoisotopic Mass: 0.5
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]+	131.06375	125.5
[M+Na]+	153.04569	133.9
[M-H]-	129.04919	125.3
[M+NH4]+	148.09029	146.8
[M+K]+	169.01963	131.9
[M+H-H2O]+	113.05373	119.4
[M+HCOO]-	175.05467	141.5
[M+CH3COO]-	189.07032	165.8
[M+Na-2H]-	151.03114	128.1
[M]+	130.05592	124.7
[M]-	130.05702	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe