CID 17389893

Methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCN1CC(CC1=O)C(=O)OC
InChI
InChI=1S/C8H13NO3/c1-3-9-5-6(4-7(9)10)8(11)12-2/h6H,3-5H2,1-2H3
InChIKey
YGAROMNNYOLXKI-UHFFFAOYSA-N
Compound name
methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.5
[M+Na]+ 194.07876 143.4
[M-H]- 170.08226 137.8
[M+NH4]+ 189.12336 156.6
[M+K]+ 210.05270 143.1
[M+H-H2O]+ 154.08680 129.9
[M+HCOO]- 216.08774 157.0
[M+CH3COO]- 230.10339 178.5
[M+Na-2H]- 192.06421 137.5
[M]+ 171.08899 136.4
[M]- 171.09009 136.4
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

patents stripe