CID 19882026

3,6,9,12-tetrathiatetradecane-1,14-diol

Structural Information

Molecular Formula
C10H22O2S4
SMILES
C(CSCCSCCSCCSCCO)O
InChI
InChI=1S/C10H22O2S4/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChIKey
OMNOPAUWOXOADS-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

302.05026 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05754 160.7
[M+Na]+ 325.03948 163.8
[M-H]- 301.04298 154.7
[M+NH4]+ 320.08408 173.5
[M+K]+ 341.01342 153.7
[M+H-H2O]+ 285.04752 154.0
[M+HCOO]- 347.04846 157.0
[M+CH3COO]- 361.06411 198.2
[M+Na-2H]- 323.02493 158.0
[M]+ 302.04971 161.3
[M]- 302.05081 161.3
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