CID 3033625

75808-48-9

Structural Information

Molecular Formula
C5H7NO4S2
SMILES
C([C@@H](C(=O)O)NC(=S)S)C(=O)O
InChI
InChI=1S/C5H7NO4S2/c7-3(8)1-2(4(9)10)6-5(11)12/h2H,1H2,(H,7,8)(H,9,10)(H2,6,11,12)/t2-/m0/s1
InChIKey
CTAOXWJZZKARRP-REOHCLBHSA-N
Compound name
(2S)-2-(dithiocarboxyamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.98164 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.98892 143.3
[M+Na]+ 231.97086 147.7
[M+NH4]+ 227.01546 148.2
[M+K]+ 247.94480 143.5
[M-H]- 207.97436 139.6
[M+Na-2H]- 229.95631 141.8
[M]+ 208.98109 143.0
[M]- 208.98219 143.0
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.