CID 3077965

1-benzyl-5-octoxypyrrolidin-2-one

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCCCCCCCOC1CCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C19H29NO2/c1-2-3-4-5-6-10-15-22-19-14-13-18(21)20(19)16-17-11-8-7-9-12-17/h7-9,11-12,19H,2-6,10,13-16H2,1H3
InChIKey
COXFPSBEHDFMBE-UHFFFAOYSA-N
Compound name
1-benzyl-5-octoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.8
[M+Na]+ 326.20904 181.1
[M-H]- 302.21254 180.7
[M+NH4]+ 321.25364 192.1
[M+K]+ 342.18298 176.9
[M+H-H2O]+ 286.21708 168.1
[M+HCOO]- 348.21802 196.6
[M+CH3COO]- 362.23367 205.7
[M+Na-2H]- 324.19449 176.1
[M]+ 303.21927 178.9
[M]- 303.22037 178.9
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