CID 57416257

5-ethynylpyridin-3-ol

Structural Information

Molecular Formula
C7H5NO
SMILES
C#CC1=CC(=CN=C1)O
InChI
InChI=1S/C7H5NO/c1-2-6-3-7(9)5-8-4-6/h1,3-5,9H
InChIKey
CBFWLCLJCZQUSF-UHFFFAOYSA-N
Compound name
5-ethynylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

119.03712 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.044396 121.6
[M+Na]+ 142.026338 132.7
[M-H]- 118.029844 121.6
[M+NH4]+ 137.070943 139.9
[M+K]+ 158.000278 129.2
[M+H-H2O]+ 102.034380 110.0
[M+HCOO]- 164.035321 138.6
[M+CH3COO]- 178.050971 176.4
[M+Na-2H]- 140.011786 128.7
[M]+ 119.03657142 115.2
[M]- 119.03766858 115.2
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