CID 1540450

1-acetylimidazolidinethione

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CC(=O)N1CCNC1=S
InChI
InChI=1S/C5H8N2OS/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
InChIKey
XGAVQYNYNMJURR-UHFFFAOYSA-N
Compound name
1-(2-sulfanylideneimidazolidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

144.03574 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 129.6
[M+Na]+ 167.02496 137.9
[M-H]- 143.02846 129.5
[M+NH4]+ 162.06956 150.2
[M+K]+ 182.99890 135.7
[M+H-H2O]+ 127.03300 123.9
[M+HCOO]- 189.03394 143.5
[M+CH3COO]- 203.04959 168.2
[M+Na-2H]- 165.01041 129.4
[M]+ 144.03519 127.1
[M]- 144.03629 127.1
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

patents stripe