CID 5325718

Cyclo-(l-pro-l-met)

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CSCC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1
InChI
InChI=1S/C10H16N2O2S/c1-15-6-4-7-10(14)12-5-2-3-8(12)9(13)11-7/h7-8H,2-6H2,1H3,(H,11,13)/t7-,8-/m1/s1
InChIKey
VFVAGPWBFWJBMN-HTQZYQBOSA-N
Compound name
(3R,8aR)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.09325 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 151.4
[M+Na]+ 251.08247 158.7
[M-H]- 227.08597 151.3
[M+NH4]+ 246.12707 169.9
[M+K]+ 267.05641 155.0
[M+H-H2O]+ 211.09051 145.5
[M+HCOO]- 273.09145 162.1
[M+CH3COO]- 287.10710 185.6
[M+Na-2H]- 249.06792 150.2
[M]+ 228.09270 149.8
[M]- 228.09380 149.8
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.