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 141.5
[M+Na]+ 231.97086 145.8
[M-H]- 207.97436 138.3
[M+NH4]+ 227.01546 158.0
[M+K]+ 247.94480 142.7
[M+H-H2O]+ 191.97890 135.9
[M+HCOO]- 253.97984 148.9
[M+CH3COO]- 267.99549 181.0
[M+Na-2H]- 229.95631 138.9
[M]+ 208.98109 141.3
[M]- 208.98219 141.3
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.