CID 3077943

Brn 4755542

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-2-3-7-12-20-15-11-10-14(18)17(15)16(19)13-8-5-4-6-9-13/h4-6,8-9,15H,2-3,7,10-12H2,1H3
InChIKey
BIVKELXEBMGXEO-UHFFFAOYSA-N
Compound name
1-benzoyl-5-pentoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

275.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.5
[M+Na]+ 298.14135 171.1
[M-H]- 274.14485 170.2
[M+NH4]+ 293.18595 181.9
[M+K]+ 314.11529 168.1
[M+H-H2O]+ 258.14939 157.5
[M+HCOO]- 320.15033 185.8
[M+CH3COO]- 334.16598 198.1
[M+Na-2H]- 296.12680 165.4
[M]+ 275.15158 166.6
[M]- 275.15268 166.6
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