CID 102515060

4-amino-2-(methanethioyl)-5-oxo-3-sulfanylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C6H8N2O3S2
SMILES
C(=S)C1(C(C(C(=O)N1)N)S)C(=O)O
InChI
InChI=1S/C6H8N2O3S2/c7-2-3(13)6(1-12,5(10)11)8-4(2)9/h1-3,13H,7H2,(H,8,9)(H,10,11)
InChIKey
HMFSLSIWMRHWGY-UHFFFAOYSA-N
Compound name
4-amino-2-methanethioyl-5-oxo-3-sulfanylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

219.99763 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00491 142.0
[M+Na]+ 242.98685 150.2
[M-H]- 218.99035 140.9
[M+NH4]+ 238.03145 161.4
[M+K]+ 258.96079 145.2
[M+H-H2O]+ 202.99489 138.4
[M+HCOO]- 264.99583 150.1
[M+CH3COO]- 279.01148 181.4
[M+Na-2H]- 240.97230 140.1
[M]+ 219.99708 140.1
[M]- 219.99818 140.1
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.