CID 17748091

276884-35-6

Structural Information

Molecular Formula
C8H7NO
SMILES
C#CC(C1=CN=CC=C1)O
InChI
InChI=1S/C8H7NO/c1-2-8(10)7-4-3-5-9-6-7/h1,3-6,8,10H
InChIKey
YQEHAHXOJGYJDW-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

133.05276 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 127.3
[M+Na]+ 156.04198 136.9
[M-H]- 132.04548 126.7
[M+NH4]+ 151.08658 144.6
[M+K]+ 172.01592 133.4
[M+H-H2O]+ 116.05002 115.2
[M+HCOO]- 178.05096 143.0
[M+CH3COO]- 192.06661 178.9
[M+Na-2H]- 154.02743 133.2
[M]+ 133.05221 120.2
[M]- 133.05331 120.2
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

patents stripe