CID 167739132

Ethyl 5-methoxy-3,4-dihydro-2h-pyrrole-4-carboxylate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCOC(=O)C1CCN=C1OC
InChI
InChI=1S/C8H13NO3/c1-3-12-8(10)6-4-5-9-7(6)11-2/h6H,3-5H2,1-2H3
InChIKey
WQOHCGMUXIUBAR-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-3,4-dihydro-2H-pyrrole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.0
[M+Na]+ 194.078758 143.7
[M-H]- 170.082264 138.3
[M+NH4]+ 189.123363 157.0
[M+K]+ 210.052698 143.8
[M+H-H2O]+ 154.086800 129.9
[M+HCOO]- 216.087741 158.8
[M+CH3COO]- 230.103391 177.2
[M+Na-2H]- 192.064206 139.5
[M]+ 171.08899142 138.5
[M]- 171.09008858 138.5
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.