CID 120766

2-butyl-2-methyl-1,3-thiazolidine

Structural Information

Molecular Formula
C8H17NS
SMILES
CCCCC1(NCCS1)C
InChI
InChI=1S/C8H17NS/c1-3-4-5-8(2)9-6-7-10-8/h9H,3-7H2,1-2H3
InChIKey
FRQZYPALTIYXIY-UHFFFAOYSA-N
Compound name
2-butyl-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

159.10817 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 135.4
[M+Na]+ 182.097388 142.0
[M-H]- 158.100894 135.9
[M+NH4]+ 177.141993 158.6
[M+K]+ 198.071328 139.7
[M+H-H2O]+ 142.105430 130.5
[M+HCOO]- 204.106371 150.1
[M+CH3COO]- 218.122021 172.7
[M+Na-2H]- 180.082836 137.1
[M]+ 159.10762142 134.1
[M]- 159.10871858 134.1
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