CID 211300

22820-36-6

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CC1=CC=CC=C1OCC(CN(C)CCN2CCCCC2)O
InChI
InChI=1S/C18H30N2O2/c1-16-8-4-5-9-18(16)22-15-17(21)14-19(2)12-13-20-10-6-3-7-11-20/h4-5,8-9,17,21H,3,6-7,10-15H2,1-2H3
InChIKey
UXWMPDWPVGOWIF-UHFFFAOYSA-N
Compound name
1-(2-methylphenoxy)-3-[methyl(2-piperidin-1-ylethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 177.1
[M+Na]+ 329.219958 178.1
[M-H]- 305.223464 180.3
[M+NH4]+ 324.264563 189.5
[M+K]+ 345.193898 175.8
[M+H-H2O]+ 289.228000 167.5
[M+HCOO]- 351.228941 193.8
[M+CH3COO]- 365.244591 209.4
[M+Na-2H]- 327.205406 177.3
[M]+ 306.23019142 175.0
[M]- 306.23128858 175.0
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.