CID 456866

4189-20-2

Structural Information

Molecular Formula
C8H11NO3
SMILES
CCOC(=O)C1=C(NC(=O)C1)C
InChI
InChI=1S/C8H11NO3/c1-3-12-8(11)6-4-7(10)9-5(6)2/h3-4H2,1-2H3,(H,9,10)
InChIKey
NVNAIVPPUAEZEB-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

169.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.6
[M+Na]+ 192.06312 143.0
[M-H]- 168.06662 135.8
[M+NH4]+ 187.10772 155.1
[M+K]+ 208.03706 141.6
[M+H-H2O]+ 152.07116 129.1
[M+HCOO]- 214.07210 156.0
[M+CH3COO]- 228.08775 175.5
[M+Na-2H]- 190.04857 137.0
[M]+ 169.07335 134.9
[M]- 169.07445 134.9
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.