CID 82285

10003-69-7

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

459
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 174.2
[M+Na]+ 412.94637 173.4
[M+NH4]+ 407.99097 175.6
[M+K]+ 428.92031 169.5
[M-H]- 388.94987 167.0
[M+Na-2H]- 410.93182 168.4
[M]+ 389.95660 172.7
[M]- 389.95770 172.7
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