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 185.0
[M-H]- 330.12662 186.2
[M+NH4]+ 349.16772 193.5
[M+K]+ 370.09706 179.0
[M+H-H2O]+ 314.13116 169.6
[M+HCOO]- 376.13210 195.2
[M+CH3COO]- 390.14775 205.9
[M+Na-2H]- 352.10857 179.8
[M]+ 331.13335 181.2
[M]- 331.13445 181.2
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

No patent data available for this compound.