CID 218555

2-(pentan-2-yl)-1,3-thiazolidine

Structural Information

Molecular Formula
C8H17NS
SMILES
CCCC(C)C1NCCS1
InChI
InChI=1S/C8H17NS/c1-3-4-7(2)8-9-5-6-10-8/h7-9H,3-6H2,1-2H3
InChIKey
KEJJWLNKKYPOIN-UHFFFAOYSA-N
Compound name
2-pentan-2-yl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.10817 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 137.4
[M+Na]+ 182.097388 142.9
[M-H]- 158.100894 137.7
[M+NH4]+ 177.141993 158.6
[M+K]+ 198.071328 140.9
[M+H-H2O]+ 142.105430 131.7
[M+HCOO]- 204.106371 151.0
[M+CH3COO]- 218.122021 173.9
[M+Na-2H]- 180.082836 136.5
[M]+ 159.10762142 135.2
[M]- 159.10871858 135.2
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