CID 43346041

1-(2-methoxyethyl)-3-methyl-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC1=CC(=O)N(C1=O)CCOC
InChI
InChI=1S/C8H11NO3/c1-6-5-7(10)9(8(6)11)3-4-12-2/h5H,3-4H2,1-2H3
InChIKey
NIDXASGUVNLEKI-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 132.2
[M+Na]+ 192.063118 142.1
[M-H]- 168.066624 135.1
[M+NH4]+ 187.107723 153.7
[M+K]+ 208.037058 141.2
[M+H-H2O]+ 152.071160 126.7
[M+HCOO]- 214.072101 156.1
[M+CH3COO]- 228.087751 179.2
[M+Na-2H]- 190.048566 135.8
[M]+ 169.07335142 135.6
[M]- 169.07444858 135.6
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

No patent data available for this compound.