CID 6441066

3-pyridinemethanol, alpha-(2-phenylvinyl)-, hydrochloride

Structural Information

Molecular Formula
C14H13NO
SMILES
C1=CC=C(C=C1)/C=C/C(C2=CN=CC=C2)O
InChI
InChI=1S/C14H13NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11,14,16H/b9-8+
InChIKey
VSRIZGGWJMIHIO-CMDGGOBGSA-N
Compound name
(E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

211.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.106996 147.3
[M+Na]+ 234.088938 153.6
[M-H]- 210.092444 150.9
[M+NH4]+ 229.133543 163.5
[M+K]+ 250.062878 149.0
[M+H-H2O]+ 194.096980 139.4
[M+HCOO]- 256.097921 168.3
[M+CH3COO]- 270.113571 183.5
[M+Na-2H]- 232.074386 153.9
[M]+ 211.09917142 145.0
[M]- 211.10026858 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.