CID 642844

19087-55-9

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

C1=CC=C(C(=C1)/C=C/C2=CC=CC=N2)O

InChI

InChI=1S/C13H11NO/c15-13-7-2-1-5-11(13)8-9-12-6-3-4-10-14-12/h1-10,15H/b9-8+

InChIKey

QXGALKDRRMKWHN-CMDGGOBGSA-N

Compound name

2-[(E)-2-pyridin-2-ylethenyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 197.08406 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.09134	142.3
[M+Na]+	220.07328	150.3
[M-H]-	196.07678	146.4
[M+NH4]+	215.11788	159.5
[M+K]+	236.04722	145.5
[M+H-H2O]+	180.08132	134.8
[M+HCOO]-	242.08226	164.7
[M+CH3COO]-	256.09791	180.7
[M+Na-2H]-	218.05873	149.9
[M]+	197.08351	140.7
[M]-	197.08461	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe