CID 82285

Acetic acid, 2,2',2'',2'''-[1,2-ethanediylidenetetrakis(thio)]tetrakis-

Structural Information

Molecular Formula
C10H14O8S4
SMILES
C(C(=O)O)SC(C(SCC(=O)O)SCC(=O)O)SCC(=O)O
InChI
InChI=1S/C10H14O8S4/c11-5(12)1-19-9(20-2-6(13)14)10(21-3-7(15)16)22-4-8(17)18/h9-10H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKey
AWLPPBSWOMXWGA-UHFFFAOYSA-N
Compound name
2-[1,2,2-tris(carboxymethylsulfanyl)ethylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

475
Patents

389.95715 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.96443 179.5
[M+Na]+ 412.94637 177.3
[M-H]- 388.94987 169.3
[M+NH4]+ 407.99097 185.1
[M+K]+ 428.92031 169.1
[M+H-H2O]+ 372.95441 172.4
[M+HCOO]- 434.95535 168.5
[M+CH3COO]- 448.97100 207.1
[M+Na-2H]- 410.93182 175.1
[M]+ 389.95660 178.5
[M]- 389.95770 178.5
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