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]+ 238.09932 154.3
[M+Na]+ 260.08126 160.6
[M-H]- 236.08476 158.9
[M+NH4]+ 255.12586 172.8
[M+K]+ 276.05520 156.4
[M+H-H2O]+ 220.08930 147.3
[M+HCOO]- 282.09024 169.3
[M+CH3COO]- 296.10589 190.0
[M+Na-2H]- 258.06671 154.6
[M]+ 237.09149 153.3
[M]- 237.09259 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.