CID 19880610

1-[2-(2-hydroxyethoxy)ethyl]-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C8H11NO4
SMILES
C1=CC(=O)N(C1=O)CCOCCO
InChI
InChI=1S/C8H11NO4/c10-4-6-13-5-3-9-7(11)1-2-8(9)12/h1-2,10H,3-6H2
InChIKey
IIYLRYHFPWHINS-UHFFFAOYSA-N
Compound name
1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

185.0688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 136.5
[M+Na]+ 208.058018 144.9
[M-H]- 184.061524 137.6
[M+NH4]+ 203.102623 156.2
[M+K]+ 224.031958 143.6
[M+H-H2O]+ 168.066060 130.7
[M+HCOO]- 230.067001 159.1
[M+CH3COO]- 244.082651 177.5
[M+Na-2H]- 206.043466 140.2
[M]+ 185.06825142 139.1
[M]- 185.06934858 139.1
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