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]+ 215.11789 147.0
[M+Na]+ 237.09983 152.4
[M-H]- 213.10333 150.6
[M+NH4]+ 232.14443 162.6
[M+K]+ 253.07377 148.5
[M+H-H2O]+ 197.10787 138.8
[M+HCOO]- 259.10881 169.2
[M+CH3COO]- 273.12446 186.8
[M+Na-2H]- 235.08528 154.6
[M]+ 214.11006 144.4
[M]- 214.11116 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.