CID 6441066

3-phenyl-1-(3-pyridyl)-2-propen-1-ol 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]+ 212.10700 147.3
[M+Na]+ 234.08894 153.6
[M-H]- 210.09244 150.9
[M+NH4]+ 229.13354 163.5
[M+K]+ 250.06288 149.0
[M+H-H2O]+ 194.09698 139.4
[M+HCOO]- 256.09792 168.3
[M+CH3COO]- 270.11357 183.5
[M+Na-2H]- 232.07439 153.9
[M]+ 211.09917 145.0
[M]- 211.10027 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.