CID 74890912

2-ethynyl-4-methoxypyridine

Structural Information

Molecular Formula
C8H7NO
SMILES
COC1=CC(=NC=C1)C#C
InChI
InChI=1S/C8H7NO/c1-3-7-6-8(10-2)4-5-9-7/h1,4-6H,2H3
InChIKey
KGPROXILVAWCPU-UHFFFAOYSA-N
Compound name
2-ethynyl-4-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

133.05276 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 123.7
[M+Na]+ 156.04198 134.8
[M-H]- 132.04548 124.8
[M+NH4]+ 151.08658 142.2
[M+K]+ 172.01592 131.9
[M+H-H2O]+ 116.05002 111.6
[M+HCOO]- 178.05096 141.8
[M+CH3COO]- 192.06661 181.5
[M+Na-2H]- 154.02743 130.9
[M]+ 133.05221 119.4
[M]- 133.05331 119.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe