CID 57416832

4-ethynyl-2-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

133.05276 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe