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

4
Patents

289.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 170.1
[M+Na]+ 312.15702 175.2
[M-H]- 288.16052 174.5
[M+NH4]+ 307.20162 185.9
[M+K]+ 328.13096 172.0
[M+H-H2O]+ 272.16506 161.9
[M+HCOO]- 334.16600 190.0
[M+CH3COO]- 348.18165 201.1
[M+Na-2H]- 310.14247 169.4
[M]+ 289.16725 171.6
[M]- 289.16835 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