CID 3077953

136410-22-5

Structural Information

Molecular Formula
C16H19NO3
SMILES
C1CCC(C1)OC2CCC(=O)N2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19NO3/c18-14-10-11-15(20-13-8-4-5-9-13)17(14)16(19)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKey
HXHAANZEIVUAOS-UHFFFAOYSA-N
Compound name
1-benzoyl-5-cyclopentyloxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.1365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 164.3
[M+Na]+ 296.12572 168.8
[M-H]- 272.12922 172.1
[M+NH4]+ 291.17032 181.8
[M+K]+ 312.09966 166.1
[M+H-H2O]+ 256.13376 156.4
[M+HCOO]- 318.13470 183.8
[M+CH3COO]- 332.15035 195.0
[M+Na-2H]- 294.11117 161.8
[M]+ 273.13595 160.8
[M]- 273.13705 160.8
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