CID 3033814

111964-39-7

Structural Information

Molecular Formula
C7H14N2S
SMILES
CCC1CNC(=S)N1CC
InChI
InChI=1S/C7H14N2S/c1-3-6-5-8-7(10)9(6)4-2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKey
AWTDAQRPDOZZDG-UHFFFAOYSA-N
Compound name
1,5-diethylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.08777 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09505 134.8
[M+Na]+ 181.07699 143.2
[M-H]- 157.08049 134.5
[M+NH4]+ 176.12159 155.3
[M+K]+ 197.05093 140.1
[M+H-H2O]+ 141.08503 129.0
[M+HCOO]- 203.08597 148.7
[M+CH3COO]- 217.10162 174.1
[M+Na-2H]- 179.06244 134.0
[M]+ 158.08722 133.4
[M]- 158.08832 133.4
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.