CID 6446008

3-pyridinemethanol, alpha-(2-(4-methylphenyl)ethenyl)-

Structural Information

Molecular Formula
C15H15NO
SMILES
CC1=CC=C(C=C1)/C=C/C(C2=CN=CC=C2)O
InChI
InChI=1S/C15H15NO/c1-12-4-6-13(7-5-12)8-9-15(17)14-3-2-10-16-11-14/h2-11,15,17H,1H3/b9-8+
InChIKey
BLDDOZJVXMKFMJ-CMDGGOBGSA-N
Compound name
(E)-3-(4-methylphenyl)-1-pyridin-3-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.122646 151.7
[M+Na]+ 248.104588 158.5
[M-H]- 224.108094 155.5
[M+NH4]+ 243.149193 167.6
[M+K]+ 264.078528 153.7
[M+H-H2O]+ 208.112630 143.8
[M+HCOO]- 270.113571 172.4
[M+CH3COO]- 284.129221 187.6
[M+Na-2H]- 246.090036 157.0
[M]+ 225.11482142 150.2
[M]- 225.11591858 150.2
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.