CID 3076607

131962-27-1

Structural Information

Molecular Formula
C14H15NO2
SMILES
C1=CC=C(C=C1)C(COCC2=CN=CC=C2)O
InChI
InChI=1S/C14H15NO2/c16-14(13-6-2-1-3-7-13)11-17-10-12-5-4-8-15-9-12/h1-9,14,16H,10-11H2
InChIKey
GULBRJRQHKQNKP-UHFFFAOYSA-N
Compound name
1-phenyl-2-(pyridin-3-ylmethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 151.4
[M+Na]+ 252.09950 157.2
[M-H]- 228.10300 154.9
[M+NH4]+ 247.14410 166.7
[M+K]+ 268.07344 153.7
[M+H-H2O]+ 212.10754 143.1
[M+HCOO]- 274.10848 172.4
[M+CH3COO]- 288.12413 187.0
[M+Na-2H]- 250.08495 157.9
[M]+ 229.10973 151.3
[M]- 229.11083 151.3
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.