CID 3077956

2-pyrrolidinone, 1-benzoyl-5-(octyloxy)-, (+-)-

Structural Information

Molecular Formula
C19H27NO3
SMILES
CCCCCCCCOC1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H27NO3/c1-2-3-4-5-6-10-15-23-18-14-13-17(21)20(18)19(22)16-11-8-7-9-12-16/h7-9,11-12,18H,2-6,10,13-15H2,1H3
InChIKey
RIBAFJIFKVCLEB-UHFFFAOYSA-N
Compound name
1-benzoyl-5-octoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

317.1991 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 179.2
[M+Na]+ 340.18832 183.4
[M-H]- 316.19182 183.3
[M+NH4]+ 335.23292 193.8
[M+K]+ 356.16226 179.8
[M+H-H2O]+ 300.19636 170.6
[M+HCOO]- 362.19730 198.5
[M+CH3COO]- 376.21295 207.0
[M+Na-2H]- 338.17377 177.5
[M]+ 317.19855 181.4
[M]- 317.19965 181.4
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