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]+ 185.074306 140.3
[M+Na]+ 207.056248 149.0
[M-H]- 183.059754 141.6
[M+NH4]+ 202.100853 160.3
[M+K]+ 223.030188 146.7
[M+H-H2O]+ 167.064290 133.9
[M+HCOO]- 229.065231 156.4
[M+CH3COO]- 243.080881 178.8
[M+Na-2H]- 205.041696 140.2
[M]+ 184.06648142 142.2
[M]- 184.06757858 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.