CID 11701667

2,5-dioxopyrrolidin-1-yl 4-(methyldisulfanyl)butanoate

Structural Information

Molecular Formula
C9H13NO4S2
SMILES
CSSCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C9H13NO4S2/c1-15-16-6-2-3-9(13)14-10-7(11)4-5-8(10)12/h2-6H2,1H3
InChIKey
QWROLKILTGGHBI-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-(methyldisulfanyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.0286 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.035876 156.6
[M+Na]+ 286.017818 163.9
[M-H]- 262.021324 158.4
[M+NH4]+ 281.062423 174.4
[M+K]+ 301.991758 161.0
[M+H-H2O]+ 246.025860 150.9
[M+HCOO]- 308.026801 167.1
[M+CH3COO]- 322.042451 191.2
[M+Na-2H]- 284.003266 153.2
[M]+ 263.02805142 161.7
[M]- 263.02914858 161.7
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

patents stripe