CID 22140102

Ethylene glycol bis-mercaptoacetate

Structural Information

Molecular Formula
C4H8O3S2
SMILES
C(COC(=O)C(S)S)O
InChI
InChI=1S/C4H8O3S2/c5-1-2-7-3(6)4(8)9/h4-5,8-9H,1-2H2
InChIKey
VSZSIEBALNXIFG-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2,2-bis(sulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3127
Patents

167.99149 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.99877 131.3
[M+Na]+ 190.98071 137.9
[M-H]- 166.98421 130.2
[M+NH4]+ 186.02531 151.3
[M+K]+ 206.95465 136.1
[M+H-H2O]+ 150.98875 126.3
[M+HCOO]- 212.98969 141.4
[M+CH3COO]- 227.00534 173.5
[M+Na-2H]- 188.96616 130.8
[M]+ 167.99094 134.7
[M]- 167.99204 134.7
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