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]+ 238.13571 154.9
[M+Na]+ 260.11765 163.0
[M-H]- 236.12115 159.8
[M+NH4]+ 255.16225 176.1
[M+K]+ 276.09159 157.9
[M+H-H2O]+ 220.12569 148.4
[M+HCOO]- 282.12663 171.3
[M+CH3COO]- 296.14228 190.9
[M+Na-2H]- 258.10310 157.4
[M]+ 237.12788 155.3
[M]- 237.12898 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.