CID 3077972

Brn 4757577

Structural Information

Molecular Formula
C19H28FNO2
SMILES
CCCCCCCCOC1CCC(=O)N1CC2=CC(=CC=C2)F
InChI
InChI=1S/C19H28FNO2/c1-2-3-4-5-6-7-13-23-19-12-11-18(22)21(19)15-16-9-8-10-17(20)14-16/h8-10,14,19H,2-7,11-13,15H2,1H3
InChIKey
ZADKFGOJMSMICU-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]-5-octoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.21042 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21770 179.4
[M+Na]+ 344.19964 184.6
[M-H]- 320.20314 182.2
[M+NH4]+ 339.24424 194.2
[M+K]+ 360.17358 179.9
[M+H-H2O]+ 304.20768 169.9
[M+HCOO]- 366.20862 198.1
[M+CH3COO]- 380.22427 209.5
[M+Na-2H]- 342.18509 177.4
[M]+ 321.20987 180.8
[M]- 321.21097 180.8
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