CID 211646

23509-65-1

Structural Information

Molecular Formula
C13H21NO3S2
SMILES
CCOC(=O)C1C(N(C(=S)S1)C2CCCCC2)(C)O
InChI
InChI=1S/C13H21NO3S2/c1-3-17-11(15)10-13(2,16)14(12(18)19-10)9-7-5-4-6-8-9/h9-10,16H,3-8H2,1-2H3
InChIKey
RCKXBEXDSFXKGW-UHFFFAOYSA-N
Compound name
ethyl 3-cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.09628 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10356 167.4
[M+Na]+ 326.08550 172.6
[M-H]- 302.08900 170.0
[M+NH4]+ 321.13010 184.8
[M+K]+ 342.05944 168.6
[M+H-H2O]+ 286.09354 162.6
[M+HCOO]- 348.09448 172.3
[M+CH3COO]- 362.11013 196.8
[M+Na-2H]- 324.07095 163.1
[M]+ 303.09573 166.1
[M]- 303.09683 166.1
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

No patent data available for this compound.