CID 49770723

1-(2-acetylpyrrolidin-1-yl)-2-methyl-3-phenyl-propan-1-one

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)C
InChI
InChI=1S/C16H21NO2/c1-12(11-14-7-4-3-5-8-14)16(19)17-10-6-9-15(17)13(2)18/h3-5,7-8,12,15H,6,9-11H2,1-2H3
InChIKey
VEEQHIAVHYKVDR-UHFFFAOYSA-N
Compound name
1-(2-acetylpyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 163.1
[M+Na]+ 282.14645 167.3
[M-H]- 258.14995 167.7
[M+NH4]+ 277.19105 179.8
[M+K]+ 298.12039 164.9
[M+H-H2O]+ 242.15449 155.4
[M+HCOO]- 304.15543 181.3
[M+CH3COO]- 318.17108 196.6
[M+Na-2H]- 280.13190 161.3
[M]+ 259.15668 161.2
[M]- 259.15778 161.2
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.