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 140.3
[M+Na]+ 207.05625 149.0
[M-H]- 183.05975 141.6
[M+NH4]+ 202.10085 160.3
[M+K]+ 223.03019 146.7
[M+H-H2O]+ 167.06429 133.9
[M+HCOO]- 229.06523 156.4
[M+CH3COO]- 243.08088 178.8
[M+Na-2H]- 205.04170 140.2
[M]+ 184.06648 142.2
[M]- 184.06758 142.2
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.