CID 147326

2-butylthiazolidine

Structural Information

Molecular Formula
C7H15NS
SMILES
CCCCC1NCCS1
InChI
InChI=1S/C7H15NS/c1-2-3-4-7-8-5-6-9-7/h7-8H,2-6H2,1H3
InChIKey
BOOIWYNDUXYILL-UHFFFAOYSA-N
Compound name
2-butyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

145.09251 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 132.3
[M+Na]+ 168.081728 138.6
[M-H]- 144.085234 132.7
[M+NH4]+ 163.126333 154.1
[M+K]+ 184.055668 136.3
[M+H-H2O]+ 128.089770 126.7
[M+HCOO]- 190.090711 147.3
[M+CH3COO]- 204.106361 170.1
[M+Na-2H]- 166.067176 133.0
[M]+ 145.09196142 130.3
[M]- 145.09305858 130.3
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