CID 43540

2-imidazoline, 1-acetyl-2-allylthio-

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CC(=O)N1CCN=C1SCC=C
InChI
InChI=1S/C8H12N2OS/c1-3-6-12-8-9-4-5-10(8)7(2)11/h3H,1,4-6H2,2H3
InChIKey
QKUXYLKNCQTHSR-UHFFFAOYSA-N
Compound name
1-(2-prop-2-enylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 142.8
[M+Na]+ 207.05625 152.6
[M+NH4]+ 202.10085 150.2
[M+K]+ 223.03019 146.8
[M-H]- 183.05975 142.4
[M+Na-2H]- 205.04170 145.6
[M]+ 184.06648 144.2
[M]- 184.06758 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.