CID 5091655

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

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

17516
Patents

308.10083 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10811 166.5
[M+Na]+ 331.09005 173.6
[M-H]- 307.09355 170.6
[M+NH4]+ 326.13465 181.8
[M+K]+ 347.06399 171.8
[M+H-H2O]+ 291.09809 159.3
[M+HCOO]- 353.09903 186.5
[M+CH3COO]- 367.11468 202.1
[M+Na-2H]- 329.07550 163.5
[M]+ 308.10028 169.8
[M]- 308.10138 169.8
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