CID 74892541

(4-ethynylpyridin-2-yl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

133.05276 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 125.6
[M+Na]+ 156.041978 136.3
[M-H]- 132.045484 125.4
[M+NH4]+ 151.086583 143.4
[M+K]+ 172.015918 132.6
[M+H-H2O]+ 116.050020 113.8
[M+HCOO]- 178.050961 142.3
[M+CH3COO]- 192.066611 179.1
[M+Na-2H]- 154.027426 132.2
[M]+ 133.05221142 119.6
[M]- 133.05330858 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