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

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 157.1
[M+Na]+ 260.11765 163.0
[M-H]- 236.12115 161.3
[M+NH4]+ 255.16225 175.8
[M+K]+ 276.09159 158.1
[M+H-H2O]+ 220.12569 149.7
[M+HCOO]- 282.12663 172.3
[M+CH3COO]- 296.14228 191.1
[M+Na-2H]- 258.10310 157.9
[M]+ 237.12788 156.2
[M]- 237.12898 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