CID 43314841

1-(2-methoxyethyl)pyrrolidin-3-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
COCCN1CCC(=O)C1
InChI
InChI=1S/C7H13NO2/c1-10-5-4-8-3-2-7(9)6-8/h2-6H2,1H3
InChIKey
DYZXOUVAQHYLAK-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)pyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 129.8
[M+Na]+ 166.083858 137.0
[M-H]- 142.087364 131.7
[M+NH4]+ 161.128463 151.8
[M+K]+ 182.057798 136.7
[M+H-H2O]+ 126.091900 123.9
[M+HCOO]- 188.092841 152.1
[M+CH3COO]- 202.108491 173.0
[M+Na-2H]- 164.069306 134.0
[M]+ 143.09409142 129.8
[M]- 143.09518858 129.8
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