CID 120771

2-hexyl-2-methyl-1,3-thiazolidine

Structural Information

Molecular Formula
C10H21NS
SMILES
CCCCCCC1(NCCS1)C
InChI
InChI=1S/C10H21NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h11H,3-9H2,1-2H3
InChIKey
MTWLGKBPTDTAQN-UHFFFAOYSA-N
Compound name
2-hexyl-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.13947 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.146746 144.0
[M+Na]+ 210.128688 149.7
[M-H]- 186.132194 144.1
[M+NH4]+ 205.173293 166.1
[M+K]+ 226.102628 146.9
[M+H-H2O]+ 170.136730 138.7
[M+HCOO]- 232.137671 158.1
[M+CH3COO]- 246.153321 178.7
[M+Na-2H]- 208.114136 144.7
[M]+ 187.13892142 143.4
[M]- 187.14001858 143.4
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