CID 3043560

55690-10-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 157.7
[M+Na]+ 246.08894 166.9
[M-H]- 222.09244 159.0
[M+NH4]+ 241.13354 171.5
[M+K]+ 262.06288 160.1
[M+H-H2O]+ 206.09698 144.1
[M+HCOO]- 268.09792 171.8
[M+CH3COO]- 282.11357 192.3
[M+Na-2H]- 244.07439 163.4
[M]+ 223.09917 150.2
[M]- 223.10027 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.