CID 3077976

Brn 4757281

Structural Information

Molecular Formula
C21H33NO2
SMILES
CCCCCCCCCCOC1CCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-12-17-24-21-16-15-20(23)22(21)18-19-13-10-9-11-14-19/h9-11,13-14,21H,2-8,12,15-18H2,1H3
InChIKey
JIQJMRLZSOCRHE-UHFFFAOYSA-N
Compound name
1-benzyl-5-decoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.25113 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.25841 186.6
[M+Na]+ 354.24035 196.8
[M+NH4]+ 349.28495 193.4
[M+K]+ 370.21429 189.7
[M-H]- 330.24385 189.1
[M+Na-2H]- 352.22580 190.7
[M]+ 331.25058 188.6
[M]- 331.25168 188.6
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