CID 3057471

1-(1-(m-chlorophenyl)butyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C14H20ClN
SMILES
CCCC(C1=CC(=CC=C1)Cl)N2CCCC2
InChI
InChI=1S/C14H20ClN/c1-2-6-14(16-9-3-4-10-16)12-7-5-8-13(15)11-12/h5,7-8,11,14H,2-4,6,9-10H2,1H3
InChIKey
IHSDDIMNORYLEW-UHFFFAOYSA-N
Compound name
1-[1-(3-chlorophenyl)butyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 157.1
[M+Na]+ 260.117648 163.0
[M-H]- 236.121154 161.3
[M+NH4]+ 255.162253 175.8
[M+K]+ 276.091588 158.1
[M+H-H2O]+ 220.125690 149.7
[M+HCOO]- 282.126631 172.3
[M+CH3COO]- 296.142281 191.1
[M+Na-2H]- 258.103096 157.9
[M]+ 237.12788142 156.2
[M]- 237.12897858 156.2
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

patents stripe