CID 10176668

Refchem:176194

Structural Information

Molecular Formula
C6H9NO2S2
SMILES
C1C[C@H](N(C1)C(=S)S)C(=O)O
InChI
InChI=1S/C6H9NO2S2/c8-5(9)4-2-1-3-7(4)6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey
KXPSZHIUQPHVGH-BYPYZUCNSA-N
Compound name
(2S)-1-dithiocarboxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

490
References

0
Patents

191.00748 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.014756 139.3
[M+Na]+ 213.996698 146.6
[M-H]- 190.000204 140.1
[M+NH4]+ 209.041303 159.2
[M+K]+ 229.970638 143.7
[M+H-H2O]+ 174.004740 134.4
[M+HCOO]- 236.005681 147.6
[M+CH3COO]- 250.021331 176.4
[M+Na-2H]- 211.982146 135.9
[M]+ 191.00693142 138.5
[M]- 191.00802858 138.5
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

No patent data available for this compound.