CID 3430836

Disuccinimidyl sebacate

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₈

SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCCCCC(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C18H24N2O8/c21-13-9-10-14(22)19(13)27-17(25)7-5-3-1-2-4-6-8-18(26)28-20-15(23)11-12-16(20)24/h1-12H2

InChIKey

XPKIVYVYXKPGBP-UHFFFAOYSA-N

Compound name

bis(2,5-dioxopyrrolidin-1-yl) decanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 256
Patents: 396.15326 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	397.16054	187.8
[M+Na]+	419.14248	191.6
[M-H]-	395.14598	190.9
[M+NH4]+	414.18708	199.0
[M+K]+	435.11642	190.5
[M+H-H2O]+	379.15052	180.2
[M+HCOO]-	441.15146	204.5
[M+CH3COO]-	455.16711	218.2
[M+Na-2H]-	417.12793	181.6
[M]+	396.15271	192.5
[M]-	396.15381	192.5

Literature stripe

literature stripe

Patent stripe

patents stripe