CID 55274732

(5-ethynylpyridin-2-yl)methanol

Structural Information

Molecular Formula
C8H7NO
SMILES
C#CC1=CN=C(C=C1)CO
InChI
InChI=1S/C8H7NO/c1-2-7-3-4-8(6-10)9-5-7/h1,3-5,10H,6H2
InChIKey
FIPXIXCYBODHTF-UHFFFAOYSA-N
Compound name
(5-ethynylpyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

133.05276 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 125.6
[M+Na]+ 156.04198 136.3
[M-H]- 132.04548 125.4
[M+NH4]+ 151.08658 143.4
[M+K]+ 172.01592 132.6
[M+H-H2O]+ 116.05002 113.8
[M+HCOO]- 178.05096 142.3
[M+CH3COO]- 192.06661 179.1
[M+Na-2H]- 154.02743 132.2
[M]+ 133.05221 119.6
[M]- 133.05331 119.6
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