CID 236346

6332-91-8

Structural Information

Molecular Formula
C7H10O4S3
SMILES
CC(C(=O)O)SC(=S)SC(C)C(=O)O
InChI
InChI=1S/C7H10O4S3/c1-3(5(8)9)13-7(12)14-4(2)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKey
WJSJKNCWBHCYME-UHFFFAOYSA-N
Compound name
2-(1-carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

253.97412 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.98140 152.6
[M+Na]+ 276.96334 156.6
[M+NH4]+ 272.00794 157.8
[M+K]+ 292.93728 150.9
[M-H]- 252.96684 148.7
[M+Na-2H]- 274.94879 150.0
[M]+ 253.97357 152.9
[M]- 253.97467 152.9
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