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]+ 252.195796 163.4
[M+Na]+ 274.177738 166.6
[M-H]- 250.181244 165.8
[M+NH4]+ 269.222343 179.9
[M+K]+ 290.151678 165.2
[M+H-H2O]+ 234.185780 155.9
[M+HCOO]- 296.186721 185.4
[M+CH3COO]- 310.202371 200.0
[M+Na-2H]- 272.163186 166.0
[M]+ 251.18797142 166.3
[M]- 251.18906858 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.