CID 200452

2088-53-1

Structural Information

Molecular Formula
C14H20ClN
SMILES
CCCC1(CCN(C1)C)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H20ClN/c1-3-7-14(8-9-16(2)11-14)12-5-4-6-13(15)10-12/h4-6,10H,3,7-9,11H2,1-2H3
InChIKey
GPERKJNCWGGWLP-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-methyl-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.12843 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.135706 154.9
[M+Na]+ 260.117648 163.0
[M-H]- 236.121154 159.8
[M+NH4]+ 255.162253 176.1
[M+K]+ 276.091588 157.9
[M+H-H2O]+ 220.125690 148.4
[M+HCOO]- 282.126631 171.3
[M+CH3COO]- 296.142281 190.9
[M+Na-2H]- 258.103096 157.4
[M]+ 237.12788142 155.3
[M]- 237.12897858 155.3
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.