CID 27240

15382-88-4

Structural Information

Molecular Formula
C15H17NO3
SMILES
COC1=C(C=CC(=C1)N)OCC(C2=CC=CC=C2)O
InChI
InChI=1S/C15H17NO3/c1-18-15-9-12(16)7-8-14(15)19-10-13(17)11-5-3-2-4-6-11/h2-9,13,17H,10,16H2,1H3
InChIKey
LAGKSIPNDVEMLM-UHFFFAOYSA-N
Compound name
2-(4-amino-2-methoxyphenoxy)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 158.9
[M+Na]+ 282.11007 165.1
[M-H]- 258.11357 163.9
[M+NH4]+ 277.15467 174.3
[M+K]+ 298.08401 162.0
[M+H-H2O]+ 242.11811 151.2
[M+HCOO]- 304.11905 181.5
[M+CH3COO]- 318.13470 196.2
[M+Na-2H]- 280.09552 162.7
[M]+ 259.12030 159.2
[M]- 259.12140 159.2
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.