CID 474209

2-hydroxy-3-sulfanyl-2-(sulfanylmethyl)propanoic acid

Structural Information

Molecular Formula
C4H8O3S2
SMILES
C(C(CS)(C(=O)O)O)S
InChI
InChI=1S/C4H8O3S2/c5-3(6)4(7,1-8)2-9/h7-9H,1-2H2,(H,5,6)
InChIKey
AROYTPPMQPOZPN-UHFFFAOYSA-N
Compound name
2-hydroxy-3-sulfanyl-2-(sulfanylmethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.99149 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.99877 132.5
[M+Na]+ 190.98071 139.2
[M-H]- 166.98421 130.0
[M+NH4]+ 186.02531 151.8
[M+K]+ 206.95465 136.3
[M+H-H2O]+ 150.98875 128.2
[M+HCOO]- 212.98969 140.8
[M+CH3COO]- 227.00534 171.0
[M+Na-2H]- 188.96616 133.4
[M]+ 167.99094 134.2
[M]- 167.99204 134.2
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

No patent data available for this compound.