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]+ 172.09682 136.0
[M+Na]+ 194.07876 143.7
[M-H]- 170.08226 138.3
[M+NH4]+ 189.12336 157.0
[M+K]+ 210.05270 143.8
[M+H-H2O]+ 154.08680 129.9
[M+HCOO]- 216.08774 158.8
[M+CH3COO]- 230.10339 177.2
[M+Na-2H]- 192.06421 139.5
[M]+ 171.08899 138.5
[M]- 171.09009 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.