CID 43227582

4-chloro-alpha-ppp

Structural Information

Molecular Formula
C13H16ClNO
SMILES
CC(C(=O)C1=CC=C(C=C1)Cl)N2CCCC2
InChI
InChI=1S/C13H16ClNO/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKey
ULRSISQFKHWZNP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

237.09204 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.099316 154.3
[M+Na]+ 260.081258 160.6
[M-H]- 236.084764 158.9
[M+NH4]+ 255.125863 172.8
[M+K]+ 276.055198 156.4
[M+H-H2O]+ 220.089300 147.3
[M+HCOO]- 282.090241 169.3
[M+CH3COO]- 296.105891 190.0
[M+Na-2H]- 258.066706 154.6
[M]+ 237.09149142 153.3
[M]- 237.09258858 153.3
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