CID 218555

2-(1-methylbutyl)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

2
Patents

159.10817 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11545 137.1
[M+Na]+ 182.09739 145.6
[M+NH4]+ 177.14199 146.0
[M+K]+ 198.07133 139.7
[M-H]- 158.10089 137.8
[M+Na-2H]- 180.08284 139.9
[M]+ 159.10762 138.7
[M]- 159.10872 138.7
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