CID 504549

3-(1-isobutyl-3-methyl-butyl)thiazolidine-2-thione

Structural Information

Molecular Formula
C12H23NS2
SMILES
CC(C)CC(CC(C)C)N1CCSC1=S
InChI
InChI=1S/C12H23NS2/c1-9(2)7-11(8-10(3)4)13-5-6-15-12(13)14/h9-11H,5-8H2,1-4H3
InChIKey
VJJNSEOYHNCDLI-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylheptan-4-yl)-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1272 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13448 157.3
[M+Na]+ 268.11642 162.2
[M-H]- 244.11992 158.6
[M+NH4]+ 263.16102 176.0
[M+K]+ 284.09036 159.1
[M+H-H2O]+ 228.12446 151.3
[M+HCOO]- 290.12540 163.4
[M+CH3COO]- 304.14105 195.1
[M+Na-2H]- 266.10187 150.4
[M]+ 245.12665 157.9
[M]- 245.12775 157.9
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.