CID 3032889

31596-21-1

Structural Information

Molecular Formula
C8H16N2S
SMILES
CC(C)N1CC(NC1=S)(C)C
InChI
InChI=1S/C8H16N2S/c1-6(2)10-5-8(3,4)9-7(10)11/h6H,5H2,1-4H3,(H,9,11)
InChIKey
BYHBWAODCZSHPZ-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-propan-2-ylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

172.10342 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.110696 136.8
[M+Na]+ 195.092638 145.2
[M-H]- 171.096144 136.7
[M+NH4]+ 190.137243 158.7
[M+K]+ 211.066578 142.7
[M+H-H2O]+ 155.100680 132.0
[M+HCOO]- 217.101621 149.4
[M+CH3COO]- 231.117271 177.5
[M+Na-2H]- 193.078086 136.1
[M]+ 172.10287142 135.5
[M]- 172.10396858 135.5
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