CID 574769

4-methoxy-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C5H7NO2
SMILES
COC1=CC(=O)NC1
InChI
InChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)
InChIKey
TXKQBYYDTLOLHA-UHFFFAOYSA-N
Compound name
3-methoxy-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

253
Patents

113.047676 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 119.3
[M+Na]+ 136.036894 128.0
[M-H]- 112.040400 120.5
[M+NH4]+ 131.081499 141.8
[M+K]+ 152.010834 127.0
[M+H-H2O]+ 96.044936 114.0
[M+HCOO]- 158.045877 142.2
[M+CH3COO]- 172.061527 163.9
[M+Na-2H]- 134.022342 125.1
[M]+ 113.04712742 118.1
[M]- 113.04822458 118.1
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