CID 3057479

Pyrrolidine, 1-(3-(o-(p-chlorophenoxy)phenoxy)propyl)-, hydrochloride, hemihydrate

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
C1CCN(C1)CCCOC2=CC=CC=C2OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClNO2/c20-16-8-10-17(11-9-16)23-19-7-2-1-6-18(19)22-15-5-14-21-12-3-4-13-21/h1-2,6-11H,3-5,12-15H2
InChIKey
GNHFFJAOWXFBJO-UHFFFAOYSA-N
Compound name
1-[3-[2-(4-chlorophenoxy)phenoxy]propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14118 179.0
[M+Na]+ 354.12312 193.5
[M+NH4]+ 349.16772 187.9
[M+K]+ 370.09706 185.5
[M-H]- 330.12662 184.7
[M+Na-2H]- 352.10857 188.0
[M]+ 331.13335 183.1
[M]- 331.13445 183.1
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.