CID 847784

168897-22-1

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCN(C1)C(=O)CCC2=CC=C(C=C2)N
InChI
InChI=1S/C13H18N2O/c14-12-6-3-11(4-7-12)5-8-13(16)15-9-1-2-10-15/h3-4,6-7H,1-2,5,8-10,14H2
InChIKey
RPHIFDVKRFUWGW-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

4
Patents

218.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.4
[M+Na]+ 241.131118 156.3
[M-H]- 217.134624 155.6
[M+NH4]+ 236.175723 169.4
[M+K]+ 257.105058 153.2
[M+H-H2O]+ 201.139160 143.5
[M+HCOO]- 263.140101 172.5
[M+CH3COO]- 277.155751 188.9
[M+Na-2H]- 239.116566 152.9
[M]+ 218.14135142 147.2
[M]- 218.14244858 147.2
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

patents stripe