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]+ 186.07608 136.5
[M+Na]+ 208.05802 144.9
[M-H]- 184.06152 137.6
[M+NH4]+ 203.10262 156.2
[M+K]+ 224.03196 143.6
[M+H-H2O]+ 168.06606 130.7
[M+HCOO]- 230.06700 159.1
[M+CH3COO]- 244.08265 177.5
[M+Na-2H]- 206.04347 140.2
[M]+ 185.06825 139.1
[M]- 185.06935 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