CID 3033816

2-imidazolinethione, 1-butyl-5-(1-methylethyl)-

Structural Information

Molecular Formula
C10H20N2S
SMILES
CCCCN1C(CNC1=S)C(C)C
InChI
InChI=1S/C10H20N2S/c1-4-5-6-12-9(8(2)3)7-11-10(12)13/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKey
KCQRETXLFTZIPU-UHFFFAOYSA-N
Compound name
1-butyl-5-propan-2-ylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

200.13472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.141996 148.1
[M+Na]+ 223.123938 154.9
[M-H]- 199.127444 147.4
[M+NH4]+ 218.168543 166.9
[M+K]+ 239.097878 151.5
[M+H-H2O]+ 183.131980 141.8
[M+HCOO]- 245.132921 160.0
[M+CH3COO]- 259.148571 184.0
[M+Na-2H]- 221.109386 144.8
[M]+ 200.13417142 147.2
[M]- 200.13526858 147.2
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