CID 146886

2-isopropylthiazolidine

Structural Information

Molecular Formula
C6H13NS
SMILES
CC(C)C1NCCS1
InChI
InChI=1S/C6H13NS/c1-5(2)6-7-3-4-8-6/h5-7H,3-4H2,1-2H3
InChIKey
KJSKELRHBZJJIK-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

131.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 128.6
[M+Na]+ 154.066088 134.9
[M-H]- 130.069594 129.3
[M+NH4]+ 149.110693 150.9
[M+K]+ 170.040028 133.4
[M+H-H2O]+ 114.074130 123.2
[M+HCOO]- 176.075071 142.8
[M+CH3COO]- 190.090721 167.9
[M+Na-2H]- 152.051536 128.7
[M]+ 131.07632142 125.6
[M]- 131.07741858 125.6
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