CID 89600516

Disuccinimidyl sulfoxide

Structural Information

Molecular Formula
C14H16N2O9S
SMILES
C1CC(=O)N(C1=O)OC(=O)CCS(=O)CCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C14H16N2O9S/c17-9-1-2-10(18)15(9)24-13(21)5-7-26(23)8-6-14(22)25-16-11(19)3-4-12(16)20/h1-8H2
InChIKey
XJSVVHDQSGMHAJ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]sulfinylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

388.05765 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06493 187.1
[M+Na]+ 411.04687 190.3
[M+NH4]+ 406.09147 187.8
[M+K]+ 427.02081 192.1
[M-H]- 387.05037 182.3
[M+Na-2H]- 409.03232 183.6
[M]+ 388.05710 185.5
[M]- 388.05820 185.5
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