CID 4620597

2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)propanoate

Structural Information

Molecular Formula
C11H10N2O6
SMILES
C1CC(=O)N(C1=O)OC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2H,3-6H2
InChIKey
JKHVDAUOODACDU-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14777
Patents

266.0539 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06118 153.0
[M+Na]+ 289.04312 161.5
[M-H]- 265.04662 157.7
[M+NH4]+ 284.08772 170.0
[M+K]+ 305.01706 160.3
[M+H-H2O]+ 249.05116 146.3
[M+HCOO]- 311.05210 174.0
[M+CH3COO]- 325.06775 193.2
[M+Na-2H]- 287.02857 151.5
[M]+ 266.05335 155.3
[M]- 266.05445 155.3
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