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
1
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]+ 192.01476 139.3
[M+Na]+ 213.99670 146.6
[M-H]- 190.00020 140.1
[M+NH4]+ 209.04130 159.2
[M+K]+ 229.97064 143.7
[M+H-H2O]+ 174.00474 134.4
[M+HCOO]- 236.00568 147.6
[M+CH3COO]- 250.02133 176.4
[M+Na-2H]- 211.98215 135.9
[M]+ 191.00693 138.5
[M]- 191.00803 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.