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]+ 144.10192 129.8
[M+Na]+ 166.08386 137.0
[M-H]- 142.08736 131.7
[M+NH4]+ 161.12846 151.8
[M+K]+ 182.05780 136.7
[M+H-H2O]+ 126.09190 123.9
[M+HCOO]- 188.09284 152.1
[M+CH3COO]- 202.10849 173.0
[M+Na-2H]- 164.06931 134.0
[M]+ 143.09409 129.8
[M]- 143.09519 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