CID 3043556

55690-01-2

Structural Information

Molecular Formula
C15H13NO
SMILES
CC(C#CC1=CC=CC=C1)(C2=CC=CC=N2)O
InChI
InChI=1S/C15H13NO/c1-15(17,14-9-5-6-12-16-14)11-10-13-7-3-2-4-8-13/h2-9,12,17H,1H3
InChIKey
KLEPIYFAJPBWKT-UHFFFAOYSA-N
Compound name
4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 157.7
[M+Na]+ 246.088938 166.9
[M-H]- 222.092444 159.0
[M+NH4]+ 241.133543 171.5
[M+K]+ 262.062878 160.1
[M+H-H2O]+ 206.096980 144.1
[M+HCOO]- 268.097921 171.8
[M+CH3COO]- 282.113571 192.3
[M+Na-2H]- 244.074386 163.4
[M]+ 223.09917142 150.2
[M]- 223.10026858 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

literature stripe

Patent stripe

No patent data available for this compound.