CID 218690

2-pentyl-1,3-thiazolidine

Structural Information

Molecular Formula
C8H17NS
SMILES
CCCCCC1NCCS1
InChI
InChI=1S/C8H17NS/c1-2-3-4-5-8-9-6-7-10-8/h8-9H,2-7H2,1H3
InChIKey
MOVBGBMWKHJQKI-UHFFFAOYSA-N
Compound name
2-pentyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

83
Patents

159.10817 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 136.7
[M+Na]+ 182.097388 142.5
[M-H]- 158.100894 136.9
[M+NH4]+ 177.141993 157.9
[M+K]+ 198.071328 140.0
[M+H-H2O]+ 142.105430 130.8
[M+HCOO]- 204.106371 151.4
[M+CH3COO]- 218.122021 173.2
[M+Na-2H]- 180.082836 136.9
[M]+ 159.10762142 135.0
[M]- 159.10871858 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe