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 135.4
[M+Na]+ 192.06312 142.8
[M-H]- 168.06662 136.2
[M+NH4]+ 187.10772 155.5
[M+K]+ 208.03706 141.4
[M+H-H2O]+ 152.07116 129.5
[M+HCOO]- 214.07210 156.8
[M+CH3COO]- 228.08775 174.3
[M+Na-2H]- 190.04857 138.4
[M]+ 169.07335 135.3
[M]- 169.07445 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.