CID 70034

833-86-3

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CCN(C1)CCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-7H,4-5,8-11H2
InChIKey
WRSWNYCNECGVNL-UHFFFAOYSA-N
Compound name
1-phenyl-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

203.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 148.5
[M+Na]+ 226.12023 159.8
[M+NH4]+ 221.16483 157.1
[M+K]+ 242.09417 154.4
[M-H]- 202.12373 151.5
[M+Na-2H]- 224.10568 155.4
[M]+ 203.13046 150.8
[M]- 203.13156 150.8
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