CID 759775

1-pyrrolidineacetamide, 2-oxo-n-(2-phenylethyl)-

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1CC(=O)N(C1)CC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O2/c17-13(11-16-10-4-7-14(16)18)15-9-8-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,17)
InChIKey
MGFAUJMDUGNMKL-UHFFFAOYSA-N
Compound name
2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 157.3
[M+Na]+ 269.12605 162.0
[M-H]- 245.12955 161.9
[M+NH4]+ 264.17065 174.2
[M+K]+ 285.09999 158.9
[M+H-H2O]+ 229.13409 149.1
[M+HCOO]- 291.13503 179.1
[M+CH3COO]- 305.15068 193.8
[M+Na-2H]- 267.11150 159.4
[M]+ 246.13628 155.2
[M]- 246.13738 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.