CID 3077965

136410-34-9

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]+ 304.227096 176.8
[M+Na]+ 326.209038 181.1
[M-H]- 302.212544 180.7
[M+NH4]+ 321.253643 192.1
[M+K]+ 342.182978 176.9
[M+H-H2O]+ 286.217080 168.1
[M+HCOO]- 348.218021 196.6
[M+CH3COO]- 362.233671 205.7
[M+Na-2H]- 324.194486 176.1
[M]+ 303.21927142 178.9
[M]- 303.22036858 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