CID 3077950

Brn 4755386

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCCC(C)OC1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-3-7-12(2)20-15-11-10-14(18)17(15)16(19)13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,7,10-11H2,1-2H3
InChIKey
DMNANXGXENPULZ-UHFFFAOYSA-N
Compound name
1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 165.5
[M+Na]+ 298.141348 170.8
[M-H]- 274.144854 170.3
[M+NH4]+ 293.185953 181.8
[M+K]+ 314.115288 168.4
[M+H-H2O]+ 258.149390 157.7
[M+HCOO]- 320.150331 184.8
[M+CH3COO]- 334.165981 199.0
[M+Na-2H]- 296.126796 164.3
[M]+ 275.15158142 166.1
[M]- 275.15267858 166.1
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