CID 25040

10193-95-0

Structural Information

Molecular Formula
C8H14O4S2
SMILES
C(CCOC(=O)CS)COC(=O)CS
InChI
InChI=1S/C8H14O4S2/c9-7(5-13)11-3-1-2-4-12-8(10)6-14/h13-14H,1-6H2
InChIKey
IPNDIMIIGZSERC-UHFFFAOYSA-N
Compound name
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1504
Patents

238.03336 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.040636 150.8
[M+Na]+ 261.022578 156.4
[M-H]- 237.026084 150.4
[M+NH4]+ 256.067183 168.7
[M+K]+ 276.996518 154.3
[M+H-H2O]+ 221.030620 144.8
[M+HCOO]- 283.031561 161.7
[M+CH3COO]- 297.047211 188.2
[M+Na-2H]- 259.008026 149.2
[M]+ 238.03281142 158.2
[M]- 238.03390858 158.2
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