CID 5091655

55750-63-5

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₆

SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCN2C(=O)C=CC2=O

InChI

InChI=1S/C14H16N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6H,1-4,7-9H2

InChIKey

VLARLSIGSPVYHX-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 17157
Patents: 308.10083 Da
Monoisotopic Mass: -0.5
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]+	309.10811	171.0
[M+Na]+	331.09005	178.0
[M+NH4]+	326.13465	174.1
[M+K]+	347.06399	178.6
[M-H]-	307.09355	168.7
[M+Na-2H]-	329.07550	170.9
[M]+	308.10028	170.5
[M]-	308.10138	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe