CID 3077940

2-pyrrolidinone, 5-butoxy-1-(4-methoxybenzoyl)-, (+-)-

Structural Information

Molecular Formula
C16H21NO4
SMILES
CCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H21NO4/c1-3-4-11-21-15-10-9-14(18)17(15)16(19)12-5-7-13(20-2)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKey
VIZVKJXMIFLHDT-UHFFFAOYSA-N
Compound name
5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 167.6
[M+Na]+ 314.136278 174.0
[M-H]- 290.139784 172.7
[M+NH4]+ 309.180883 183.6
[M+K]+ 330.110218 171.7
[M+H-H2O]+ 274.144320 159.8
[M+HCOO]- 336.145261 188.1
[M+CH3COO]- 350.160911 201.4
[M+Na-2H]- 312.121726 167.0
[M]+ 291.14651142 170.6
[M]- 291.14760858 170.6
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

No patent data available for this compound.