CID 87682079

Dithio bis(succinimidyl propionate)

Structural Information

Molecular Formula
C14H16N2O8S2
SMILES
CC(C(=O)OSSOC(=O)C(C)N1C(=O)CCC1=O)N2C(=O)CCC2=O
InChI
InChI=1S/C14H16N2O8S2/c1-7(15-9(17)3-4-10(15)18)13(21)23-25-26-24-14(22)8(2)16-11(19)5-6-12(16)20/h7-8H,3-6H2,1-2H3
InChIKey
LACAPSIKXZYTNR-UHFFFAOYSA-N
Compound name
[2-(2,5-dioxopyrrolidin-1-yl)propanoyloxydisulfanyl] 2-(2,5-dioxopyrrolidin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

216
References

16
Patents

404.03482 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04210 191.5
[M+Na]+ 427.02404 194.1
[M+NH4]+ 422.06864 193.2
[M+K]+ 442.99798 194.1
[M-H]- 403.02754 187.4
[M+Na-2H]- 425.00949 187.8
[M]+ 404.03427 190.6
[M]- 404.03537 190.6
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

patents stripe