CID 15751859

5,5-dimethyl-2-isopropylthiazolidine

Structural Information

Molecular Formula
C8H17NS
SMILES
CC(C)C1NCC(S1)(C)C
InChI
InChI=1S/C8H17NS/c1-6(2)7-9-5-8(3,4)10-7/h6-7,9H,5H2,1-4H3
InChIKey
UEHKBJZDQOQOLX-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

159.10817 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 134.9
[M+Na]+ 182.097388 142.1
[M-H]- 158.100894 135.9
[M+NH4]+ 177.141993 158.4
[M+K]+ 198.071328 140.2
[M+H-H2O]+ 142.105430 130.6
[M+HCOO]- 204.106371 148.5
[M+CH3COO]- 218.122021 174.6
[M+Na-2H]- 180.082836 135.0
[M]+ 159.10762142 133.4
[M]- 159.10871858 133.4
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