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]+ 264.03588 156.6
[M+Na]+ 286.01782 163.9
[M-H]- 262.02132 158.4
[M+NH4]+ 281.06242 174.4
[M+K]+ 301.99176 161.0
[M+H-H2O]+ 246.02586 150.9
[M+HCOO]- 308.02680 167.1
[M+CH3COO]- 322.04245 191.2
[M+Na-2H]- 284.00327 153.2
[M]+ 263.02805 161.7
[M]- 263.02915 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