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

4
Patents

275.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.5
[M+Na]+ 298.14135 170.8
[M-H]- 274.14485 170.3
[M+NH4]+ 293.18595 181.8
[M+K]+ 314.11529 168.4
[M+H-H2O]+ 258.14939 157.7
[M+HCOO]- 320.15033 184.8
[M+CH3COO]- 334.16598 199.0
[M+Na-2H]- 296.12680 164.3
[M]+ 275.15158 166.1
[M]- 275.15268 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