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
2
Annotation Hits

0
References

7
Patents

144.03574 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 129.6
[M+Na]+ 167.024958 137.9
[M-H]- 143.028464 129.5
[M+NH4]+ 162.069563 150.2
[M+K]+ 182.998898 135.7
[M+H-H2O]+ 127.033000 123.9
[M+HCOO]- 189.033941 143.5
[M+CH3COO]- 203.049591 168.2
[M+Na-2H]- 165.010406 129.4
[M]+ 144.03519142 127.1
[M]- 144.03628858 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