CID 3058790

75606-60-9

Structural Information

Molecular Formula
C11H21NS
SMILES
CC(=C(C)CCC1(NCCS1)C)C
InChI
InChI=1S/C11H21NS/c1-9(2)10(3)5-6-11(4)12-7-8-13-11/h12H,5-8H2,1-4H3
InChIKey
JJDZEYJKWDEOBV-UHFFFAOYSA-N
Compound name
2-(3,4-dimethylpent-3-enyl)-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.13947 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.146746 148.7
[M+Na]+ 222.128688 153.8
[M-H]- 198.132194 148.9
[M+NH4]+ 217.173293 170.2
[M+K]+ 238.102628 151.1
[M+H-H2O]+ 182.136730 143.7
[M+HCOO]- 244.137671 160.5
[M+CH3COO]- 258.153321 181.8
[M+Na-2H]- 220.114136 146.7
[M]+ 199.13892142 146.5
[M]- 199.14001858 146.5
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

No patent data available for this compound.