CID 22627013

4-methoxypyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
COC1CC(=O)NC1
InChI
InChI=1S/C5H9NO2/c1-8-4-2-5(7)6-3-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
ZREXPQQJHZPXAY-UHFFFAOYSA-N
Compound name
4-methoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

115.06333 Da
Monoisotopic Mass

-0.8
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

No literature data available for this compound.

Patent stripe

patents stripe