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]+ 170.08118 136.8
[M+Na]+ 192.06312 145.9
[M+NH4]+ 187.10772 143.2
[M+K]+ 208.03706 143.4
[M-H]- 168.06662 135.5
[M+Na-2H]- 190.04857 139.6
[M]+ 169.07335 137.2
[M]- 169.07445 137.2
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.