CID 181561

5-methoxypyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
COC1CCC(=O)N1
InChI
InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)
InChIKey
VULIHENHKGDFAB-UHFFFAOYSA-N
Compound name
5-methoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

225
Patents

115.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.5
[M+Na]+ 138.052548 129.2
[M-H]- 114.056054 122.3
[M+NH4]+ 133.097153 143.9
[M+K]+ 154.026488 128.4
[M+H-H2O]+ 98.060590 116.2
[M+HCOO]- 160.061531 143.0
[M+CH3COO]- 174.077181 164.3
[M+Na-2H]- 136.037996 126.3
[M]+ 115.06278142 118.9
[M]- 115.06387858 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe