CID 74949

2068-24-8

Structural Information

Molecular Formula
C5H8O4S2
SMILES
C(C(=O)O)SCSCC(=O)O
InChI
InChI=1S/C5H8O4S2/c6-4(7)1-10-3-11-2-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKey
CZEVAMMETWVBOD-UHFFFAOYSA-N
Compound name
2-(carboxymethylsulfanylmethylsulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

270
Patents

195.9864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99368 140.0
[M+Na]+ 218.97562 146.5
[M+NH4]+ 214.02022 146.1
[M+K]+ 234.94956 140.2
[M-H]- 194.97912 136.9
[M+Na-2H]- 216.96107 139.4
[M]+ 195.98585 140.5
[M]- 195.98695 140.5
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