CID 3033287

1-butyl-4,4-dimethyl-2-imidazolidinethione

Structural Information

Molecular Formula
C9H18N2S
SMILES
CCCCN1CC(NC1=S)(C)C
InChI
InChI=1S/C9H18N2S/c1-4-5-6-11-7-9(2,3)10-8(11)12/h4-7H2,1-3H3,(H,10,12)
InChIKey
YOASKFDRZFNNCF-UHFFFAOYSA-N
Compound name
1-butyl-4,4-dimethylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.11906 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.126336 140.9
[M+Na]+ 209.108278 149.2
[M-H]- 185.111784 140.6
[M+NH4]+ 204.152883 162.3
[M+K]+ 225.082218 146.0
[M+H-H2O]+ 169.116320 135.8
[M+HCOO]- 231.117261 154.2
[M+CH3COO]- 245.132911 179.7
[M+Na-2H]- 207.093726 140.8
[M]+ 186.11851142 140.6
[M]- 186.11960858 140.6
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.