CID 131879112

412283-66-0

Structural Information

Molecular Formula
C8H11NO3
SMILES
CCOC(=O)CC1=CCC(=O)N1
InChI
InChI=1S/C8H11NO3/c1-2-12-8(11)5-6-3-4-7(10)9-6/h3H,2,4-5H2,1H3,(H,9,10)
InChIKey
KUOQPNVZPMUQPE-UHFFFAOYSA-N
Compound name
ethyl 2-(2-oxo-1,3-dihydropyrrol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 135.4
[M+Na]+ 192.063118 142.8
[M-H]- 168.066624 136.2
[M+NH4]+ 187.107723 155.5
[M+K]+ 208.037058 141.4
[M+H-H2O]+ 152.071160 129.5
[M+HCOO]- 214.072101 156.8
[M+CH3COO]- 228.087751 174.3
[M+Na-2H]- 190.048566 138.4
[M]+ 169.07335142 135.3
[M]- 169.07444858 135.3
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.