CID 3077938

Brn 4754760

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]+ 262.14378 160.9
[M+Na]+ 284.12572 166.9
[M-H]- 260.12922 165.8
[M+NH4]+ 279.17032 177.8
[M+K]+ 300.09966 164.2
[M+H-H2O]+ 244.13376 153.1
[M+HCOO]- 306.13470 181.6
[M+CH3COO]- 320.15035 195.1
[M+Na-2H]- 282.11117 161.3
[M]+ 261.13595 161.7
[M]- 261.13705 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