CID 3077938

1-benzoyl-5-butoxypyrrolidin-2-one

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCCCOC1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-2-3-11-19-14-10-9-13(17)16(14)15(18)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKey
QBWUPSLEXNZMFG-UHFFFAOYSA-N
Compound name
1-benzoyl-5-butoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.1365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 160.9
[M+Na]+ 284.125718 166.9
[M-H]- 260.129224 165.8
[M+NH4]+ 279.170323 177.8
[M+K]+ 300.099658 164.2
[M+H-H2O]+ 244.133760 153.1
[M+HCOO]- 306.134701 181.6
[M+CH3COO]- 320.150351 195.1
[M+Na-2H]- 282.111166 161.3
[M]+ 261.13595142 161.7
[M]- 261.13704858 161.7
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