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 121.6
[M+Na]+ 142.02634 132.7
[M-H]- 118.02984 121.6
[M+NH4]+ 137.07094 139.9
[M+K]+ 158.00028 129.2
[M+H-H2O]+ 102.03438 110.0
[M+HCOO]- 164.03532 138.6
[M+CH3COO]- 178.05097 176.4
[M+Na-2H]- 140.01179 128.7
[M]+ 119.03657 115.2
[M]- 119.03767 115.3
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