CID 3077954

2-pyrrolidinone, 1-benzoyl-5-(hexyloxy)-, (+-)-

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCCCCCOC1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO3/c1-2-3-4-8-13-21-16-12-11-15(19)18(16)17(20)14-9-6-5-7-10-14/h5-7,9-10,16H,2-4,8,11-13H2,1H3
InChIKey
HTXJLXOUZKPALA-UHFFFAOYSA-N
Compound name
1-benzoyl-5-hexoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 170.1
[M+Na]+ 312.157018 175.2
[M-H]- 288.160524 174.5
[M+NH4]+ 307.201623 185.9
[M+K]+ 328.130958 172.0
[M+H-H2O]+ 272.165060 161.9
[M+HCOO]- 334.166001 190.0
[M+CH3COO]- 348.181651 201.1
[M+Na-2H]- 310.142466 169.4
[M]+ 289.16725142 171.6
[M]- 289.16834858 171.6
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