CID 213471

O-(3-pyrrolidinylpropoxy)phenyl o-tolyl ether hydrochloride

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OCCCN3CCCC3
InChI
InChI=1S/C20H25NO2/c1-17-9-2-3-10-18(17)23-20-12-5-4-11-19(20)22-16-8-15-21-13-6-7-14-21/h2-5,9-12H,6-8,13-16H2,1H3
InChIKey
ODMFPCULQRADCO-UHFFFAOYSA-N
Compound name
1-[3-[2-(2-methylphenoxy)phenoxy]propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.18854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 175.8
[M+Na]+ 334.17776 180.6
[M-H]- 310.18126 183.2
[M+NH4]+ 329.22236 190.3
[M+K]+ 350.15170 176.2
[M+H-H2O]+ 294.18580 166.1
[M+HCOO]- 356.18674 196.5
[M+CH3COO]- 370.20239 205.2
[M+Na-2H]- 332.16321 176.8
[M]+ 311.18799 176.2
[M]- 311.18909 176.2
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