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

51
Patents

119.03712 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04440 122.9
[M+Na]+ 142.02634 136.1
[M+NH4]+ 137.07094 127.9
[M+K]+ 158.00028 127.0
[M-H]- 118.02984 116.4
[M+Na-2H]- 140.01179 127.4
[M]+ 119.03657 122.1
[M]- 119.03767 122.1
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