CID 3077940

Brn 4756974

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]+ 292.15434 167.6
[M+Na]+ 314.13628 174.0
[M-H]- 290.13978 172.7
[M+NH4]+ 309.18088 183.6
[M+K]+ 330.11022 171.7
[M+H-H2O]+ 274.14432 159.8
[M+HCOO]- 336.14526 188.1
[M+CH3COO]- 350.16091 201.4
[M+Na-2H]- 312.12173 167.0
[M]+ 291.14651 170.6
[M]- 291.14761 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.