CID 113822

Usaf in-511

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1=CC=C(C=C1)CC(NC2=CC=CC=N2)O
InChI
InChI=1S/C13H14N2O/c16-13(10-11-6-2-1-3-7-11)15-12-8-4-5-9-14-12/h1-9,13,16H,10H2,(H,14,15)
InChIKey
RIMYJNSCHGBBDS-UHFFFAOYSA-N
Compound name
2-phenyl-1-(pyridin-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 147.0
[M+Na]+ 237.099828 152.4
[M-H]- 213.103334 150.6
[M+NH4]+ 232.144433 162.6
[M+K]+ 253.073768 148.5
[M+H-H2O]+ 197.107870 138.8
[M+HCOO]- 259.108811 169.2
[M+CH3COO]- 273.124461 186.8
[M+Na-2H]- 235.085276 154.6
[M]+ 214.11006142 144.4
[M]- 214.11115858 144.4
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.