CID 212604

O-(2-pyrrolidinylethoxy)diphenyl ether hydrochloride

Structural Information

Molecular Formula
C18H21NO2
SMILES
C1CCN(C1)CCOC2=CC=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C18H21NO2/c1-2-8-16(9-3-1)21-18-11-5-4-10-17(18)20-15-14-19-12-6-7-13-19/h1-5,8-11H,6-7,12-15H2
InChIKey
UJGYQOWEACCGQJ-UHFFFAOYSA-N
Compound name
1-[2-(2-phenoxyphenoxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 166.6
[M+Na]+ 306.14645 171.4
[M-H]- 282.14995 174.0
[M+NH4]+ 301.19105 181.9
[M+K]+ 322.12039 167.4
[M+H-H2O]+ 266.15449 157.0
[M+HCOO]- 328.15543 188.0
[M+CH3COO]- 342.17108 177.5
[M+Na-2H]- 304.13190 169.4
[M]+ 283.15668 165.9
[M]- 283.15778 165.9
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.