CID 53425122

1-(ethyltrisulfanyl)propane

Structural Information

Molecular Formula
C5H12S3
SMILES
CCCSSSCC
InChI
InChI=1S/C5H12S3/c1-3-5-7-8-6-4-2/h3-5H2,1-2H3
InChIKey
SHEIYCJSZOMHMI-UHFFFAOYSA-N
Compound name
1-(ethyltrisulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

45
Patents

168.01012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01740 129.1
[M+Na]+ 190.99934 136.4
[M-H]- 167.00284 128.7
[M+NH4]+ 186.04394 149.8
[M+K]+ 206.97328 131.7
[M+H-H2O]+ 151.00738 123.8
[M+HCOO]- 213.00832 135.3
[M+CH3COO]- 227.02397 179.6
[M+Na-2H]- 188.98479 128.6
[M]+ 168.00957 131.6
[M]- 168.01067 131.6
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