CID 203854

1-pyrrolidineacetamide, n-phenyl-

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CCN(C1)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c15-12(10-14-8-4-5-9-14)13-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,15)
InChIKey
CIOIRYLEIVBXJB-UHFFFAOYSA-N
Compound name
N-phenyl-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

204.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.4
[M+Na]+ 227.11549 150.8
[M-H]- 203.11899 150.9
[M+NH4]+ 222.16009 164.8
[M+K]+ 243.08943 148.3
[M+H-H2O]+ 187.12353 138.3
[M+HCOO]- 249.12447 168.5
[M+CH3COO]- 263.14012 185.4
[M+Na-2H]- 225.10094 150.2
[M]+ 204.12572 142.4
[M]- 204.12682 142.4
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

patents stripe