CID 218578

40823-56-1

Structural Information

Molecular Formula
C7H15NS
SMILES
CC(C)(C)C1NCCS1
InChI
InChI=1S/C7H15NS/c1-7(2,3)6-8-4-5-9-6/h6,8H,4-5H2,1-3H3
InChIKey
HFRXAIUSDIPKJM-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

145.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 133.6
[M+Na]+ 168.08173 140.4
[M-H]- 144.08523 134.4
[M+NH4]+ 163.12633 155.7
[M+K]+ 184.05567 138.5
[M+H-H2O]+ 128.08977 128.7
[M+HCOO]- 190.09071 147.2
[M+CH3COO]- 204.10636 169.7
[M+Na-2H]- 166.06718 135.1
[M]+ 145.09196 131.1
[M]- 145.09306 131.1
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