CID 57160

Brn 2529477

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCN(CC)CCCOCC(C1=CC=CC=C1)O
InChI
InChI=1S/C15H25NO2/c1-3-16(4-2)11-8-12-18-13-15(17)14-9-6-5-7-10-14/h5-7,9-10,15,17H,3-4,8,11-13H2,1-2H3
InChIKey
UWIGDFDCBFWOMP-UHFFFAOYSA-N
Compound name
2-[3-(diethylamino)propoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.18852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 163.4
[M+Na]+ 274.17774 166.6
[M-H]- 250.18124 165.8
[M+NH4]+ 269.22234 179.9
[M+K]+ 290.15168 165.2
[M+H-H2O]+ 234.18578 155.9
[M+HCOO]- 296.18672 185.4
[M+CH3COO]- 310.20237 200.0
[M+Na-2H]- 272.16319 166.0
[M]+ 251.18797 166.3
[M]- 251.18907 166.3
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.