CID 300560

1,4,8,11-tetrathiacyclotetradecane

Structural Information

Molecular Formula
C10H20S4
SMILES
C1CSCCSCCCSCCSC1
InChI
InChI=1S/C10H20S4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-10H2
InChIKey
WMVHWZHZRYGGOO-UHFFFAOYSA-N
Compound name
1,4,8,11-tetrathiacyclotetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

234
Patents

268.0448 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05208 155.1
[M+Na]+ 291.03402 158.1
[M-H]- 267.03752 153.4
[M+NH4]+ 286.07862 168.1
[M+K]+ 307.00796 152.3
[M+H-H2O]+ 251.04206 152.8
[M+HCOO]- 313.04300 150.1
[M+CH3COO]- 327.05865 161.4
[M+Na-2H]- 289.01947 152.6
[M]+ 268.04425 142.4
[M]- 268.04535 142.4
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