CID 3077948

136410-17-8

Structural Information

Molecular Formula
C16H20FNO3
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H20FNO3/c1-2-3-4-11-21-15-10-9-14(19)18(15)16(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-11H2,1H3
InChIKey
GUKFVZAIVYIAPW-UHFFFAOYSA-N
Compound name
1-(4-fluorobenzoyl)-5-pentoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.14273 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15001 167.8
[M+Na]+ 316.13195 174.3
[M-H]- 292.13545 171.4
[M+NH4]+ 311.17655 183.7
[M+K]+ 332.10589 170.9
[M+H-H2O]+ 276.13999 159.1
[M+HCOO]- 338.14093 187.0
[M+CH3COO]- 352.15658 202.0
[M+Na-2H]- 314.11740 166.5
[M]+ 293.14218 168.3
[M]- 293.14328 168.3
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