CID 3159843

162712-35-8

Structural Information

Molecular Formula
C14H22N2O3
SMILES
COC1=CC=CC=C1OCC(CN2CCNCC2)O
InChI
InChI=1S/C14H22N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h2-5,12,15,17H,6-11H2,1H3
InChIKey
HVPPJURUTODQOY-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

62
Patents

266.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.3
[M+Na]+ 289.15228 166.3
[M-H]- 265.15578 163.1
[M+NH4]+ 284.19688 175.0
[M+K]+ 305.12622 163.1
[M+H-H2O]+ 249.16032 154.2
[M+HCOO]- 311.16126 177.3
[M+CH3COO]- 325.17691 191.5
[M+Na-2H]- 287.13773 165.6
[M]+ 266.16251 159.4
[M]- 266.16361 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe