CID 480021

S-ethyl cyclohexanecarbothioate

Structural Information

Molecular Formula
C9H16OS
SMILES
CCSC(=O)C1CCCCC1
InChI
InChI=1S/C9H16OS/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKey
LPXSWGKUIIAVEI-UHFFFAOYSA-N
Compound name
S-ethyl cyclohexanecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.0922 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09948 138.3
[M+Na]+ 195.08142 142.8
[M-H]- 171.08492 141.0
[M+NH4]+ 190.12602 158.9
[M+K]+ 211.05536 141.2
[M+H-H2O]+ 155.08946 132.8
[M+HCOO]- 217.09040 152.6
[M+CH3COO]- 231.10605 177.6
[M+Na-2H]- 193.06687 139.0
[M]+ 172.09165 136.2
[M]- 172.09275 136.2
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.